Steroids and derivatives

Any of a large class of organic compounds with a characteristic molecular structure containing four rings of carbon atoms (three six-membered and one five) and associated derivatives; includes many hormones, alkaloids, and vitamins.

46 – 60 of 812 results

Methylprednisolone Acetate, Micronized, USP, 97-103%, Spectrum™ Chemical

CAS: 53-36-1 Molecular Formula: C24H32O6 Molecular Weight (g/mol): 416.51 InChI Key: PLBHSZGDDKCEHR-LFYFAGGJSA-N IUPAC Name: 2-[(1R,3aS,3bS,5S,9aR,9bS,10S,11aS)-1,10-dihydroxy-5,9a,11a-trimethyl-7-oxo-1H,2H,3H,3aH,3bH,4H,5H,7H,9aH,9bH,10H,11H,11aH-cyclopenta[a]phenanthren-1-yl]-2-oxoethyl acetate SMILES: C[C@H]1C[C@H]2[C@@H]3CC[C@](O)(C(=O)COC(C)=O)[C@@]3(C)C[C@H](O)[C@@H]2[C@@]2(C)C=CC(=O)C=C12

Pricing & Availability
Specifications

CAS	53-36-1
Molecular Weight (g/mol)	416.51
SMILES	C[C@H]1C[C@H]2[C@@H]3CC[C@](O)(C(=O)COC(C)=O)[C@@]3(C)C[C@H](O)[C@@H]2[C@@]2(C)C=CC(=O)C=C12
IUPAC Name	2-[(1R,3aS,3bS,5S,9aR,9bS,10S,11aS)-1,10-dihydroxy-5,9a,11a-trimethyl-7-oxo-1H,2H,3H,3aH,3bH,4H,5H,7H,9aH,9bH,10H,11H,11aH-cyclopenta[a]phenanthren-1-yl]-2-oxoethyl acetate
InChI Key	PLBHSZGDDKCEHR-LFYFAGGJSA-N
Molecular Formula	C24H32O6

Vitamin D3, MP Biomedicals™

CAS: 67-97-0 Molecular Formula: C27H44O Molecular Weight (g/mol): 384.648 InChI Key: QYSXJUFSXHHAJI-YRZJJWOYSA-N Synonym: vitamin d3,cholecalciferol,calciol,colecalciferol,oleovitamin d3,arachitol,activated 7-dehydrocholesterol,vitamin d,colecalcipherol,colecalciferolum PubChem CID: 5280795 ChEBI: CHEBI:28940 IUPAC Name: (1S,3Z)-3-[(2E)-2-[(1R,3aS,7aR)-7a-methyl-1-[(2R)-6-methylheptan-2-yl]-2,3,3a,5,6,7-hexahydro-1H-inden-4-ylidene]ethylidene]-4-methylidenecyclohexan-1-ol SMILES: CC(C)CCCC(C)C1CCC2C1(CCCC2=CC=C3CC(CCC3=C)O)C

Pricing & Availability
Specifications

PubChem CID	5280795
CAS	67-97-0
Molecular Weight (g/mol)	384.648
ChEBI	CHEBI:28940
SMILES	CC(C)CCCC(C)C1CCC2C1(CCCC2=CC=C3CC(CCC3=C)O)C
Synonym	vitamin d3,cholecalciferol,calciol,colecalciferol,oleovitamin d3,arachitol,activated 7-dehydrocholesterol,vitamin d,colecalcipherol,colecalciferolum
IUPAC Name	(1S,3Z)-3-[(2E)-2-[(1R,3aS,7aR)-7a-methyl-1-[(2R)-6-methylheptan-2-yl]-2,3,3a,5,6,7-hexahydro-1H-inden-4-ylidene]ethylidene]-4-methylidenecyclohexan-1-ol
InChI Key	QYSXJUFSXHHAJI-YRZJJWOYSA-N
Molecular Formula	C27H44O

PubChem CID	5280795
CAS	67-97-0
Molecular Weight (g/mol)	384.648
ChEBI	CHEBI:28940
SMILES	CC(C)CCCC(C)C1CCC2C1(CCCC2=CC=C3CC(CCC3=C)O)C
Synonym	vitamin d3,cholecalciferol,calciol,colecalciferol,oleovitamin d3,arachitol,activated 7-dehydrocholesterol,vitamin d,colecalcipherol,colecalciferolum
IUPAC Name	(1S,3Z)-3-[(2E)-2-[(1R,3aS,7aR)-7a-methyl-1-[(2R)-6-methylheptan-2-yl]-2,3,3a,5,6,7-hexahydro-1H-inden-4-ylidene]ethylidene]-4-methylidenecyclohexan-1-ol
InChI Key	QYSXJUFSXHHAJI-YRZJJWOYSA-N
Molecular Formula	C27H44O

Beta-Estradiol Precipitable by Digitonin. MP Biomedicals

CAS: 50-28-2 Molecular Formula: C18H24O2 Molecular Weight (g/mol): 272.388 InChI Key: VOXZDWNPVJITMN-ZBRFXRBCSA-N Synonym: estradiol,beta-estradiol,17beta-estradiol,oestradiol,dihydrofolliculin,estrace,ovocyclin,progynon,dihydrotheelin,dihydroxyestrin PubChem CID: 5757 ChEBI: CHEBI:16469 IUPAC Name: (8R,9S,13S,14S,17S)-13-methyl-6,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthrene-3,17-diol SMILES: CC12CCC3C(C1CCC2O)CCC4=C3C=CC(=C4)O

Pricing & Availability
Specifications

PubChem CID	5757
CAS	50-28-2
Molecular Weight (g/mol)	272.388
ChEBI	CHEBI:16469
SMILES	CC12CCC3C(C1CCC2O)CCC4=C3C=CC(=C4)O
Synonym	estradiol,beta-estradiol,17beta-estradiol,oestradiol,dihydrofolliculin,estrace,ovocyclin,progynon,dihydrotheelin,dihydroxyestrin
IUPAC Name	(8R,9S,13S,14S,17S)-13-methyl-6,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthrene-3,17-diol
InChI Key	VOXZDWNPVJITMN-ZBRFXRBCSA-N
Molecular Formula	C18H24O2

Vitamin D3 Powder, With Corn Starch, MP Biomedicals™

Pricing & Availability
Specifications

PubChem CID	5280795
CAS	67-97-0
Molecular Weight (g/mol)	384.648
ChEBI	CHEBI:28940
SMILES	CC(C)CCCC(C)C1CCC2C1(CCCC2=CC=C3CC(CCC3=C)O)C
Synonym	vitamin d3,cholecalciferol,calciol,colecalciferol,oleovitamin d3,arachitol,activated 7-dehydrocholesterol,vitamin d,colecalcipherol,colecalciferolum
IUPAC Name	(1S,3Z)-3-[(2E)-2-[(1R,3aS,7aR)-7a-methyl-1-[(2R)-6-methylheptan-2-yl]-2,3,3a,5,6,7-hexahydro-1H-inden-4-ylidene]ethylidene]-4-methylidenecyclohexan-1-ol
InChI Key	QYSXJUFSXHHAJI-YRZJJWOYSA-N
Molecular Formula	C27H44O

Thermo Scientific Chemicals Levonorgestrel, 98%

CAS: 797-63-7 Molecular Formula: C₂₁H₂₈O₂ Molecular Weight (g/mol): 312.45 InChI Key: WWYNJERNGUHSAO-XUDSTZEESA-N Synonym: levonorgestrel,norgestrel,d-norgestrel,--norgestrel,levonova,microval,postinor,mirena,plan b,jadelle PubChem CID: 13109 ChEBI: CHEBI:6443 IUPAC Name: (8R,9S,10R,13S,14S,17R)-13-ethyl-17-ethynyl-17-hydroxy-1,2,6,7,8,9,10,11,12,14,15,16-dodecahydrocyclopenta[a]phenanthren-3-one SMILES: CCC12CCC3C(C1CCC2(C#C)O)CCC4=CC(=O)CCC34

Pricing & Availability
Specifications

PubChem CID	13109
CAS	797-63-7
Molecular Weight (g/mol)	312.45
ChEBI	CHEBI:6443
SMILES	CCC12CCC3C(C1CCC2(C#C)O)CCC4=CC(=O)CCC34
Synonym	levonorgestrel,norgestrel,d-norgestrel,--norgestrel,levonova,microval,postinor,mirena,plan b,jadelle
IUPAC Name	(8R,9S,10R,13S,14S,17R)-13-ethyl-17-ethynyl-17-hydroxy-1,2,6,7,8,9,10,11,12,14,15,16-dodecahydrocyclopenta[a]phenanthren-3-one
InChI Key	WWYNJERNGUHSAO-XUDSTZEESA-N
Molecular Formula	C₂₁H₂₈O₂

β-Estradiol-3-Benzoate, MP Biomedicals, MP Biomedicals™

CAS: 50-50-0 Molecular Formula: C25H28O3 Molecular Weight (g/mol): 376.496 InChI Key: UYIFTLBWAOGQBI-BZDYCCQFSA-N Synonym: estradiol benzoate,estradiol monobenzoate,benzhormovarine,benzoestrofol,benovocylin,benzofoline,follidrin,ovasterol-b,benzo-gynoestryl,primogyn b PubChem CID: 222757 ChEBI: CHEBI:77006 IUPAC Name: [(8R,9S,13S,14S,17S)-17-hydroxy-13-methyl-6,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthren-3-yl] benzoate SMILES: CC12CCC3C(C1CCC2O)CCC4=C3C=CC(=C4)OC(=O)C5=CC=CC=C5

Pricing & Availability
Specifications

PubChem CID	222757
CAS	50-50-0
Molecular Weight (g/mol)	376.496
ChEBI	CHEBI:77006
SMILES	CC12CCC3C(C1CCC2O)CCC4=C3C=CC(=C4)OC(=O)C5=CC=CC=C5
Synonym	estradiol benzoate,estradiol monobenzoate,benzhormovarine,benzoestrofol,benovocylin,benzofoline,follidrin,ovasterol-b,benzo-gynoestryl,primogyn b
IUPAC Name	[(8R,9S,13S,14S,17S)-17-hydroxy-13-methyl-6,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthren-3-yl] benzoate
InChI Key	UYIFTLBWAOGQBI-BZDYCCQFSA-N
Molecular Formula	C25H28O3

Invitrogen™ CholEsteryl 4,4-Difluoro-5,7-Dimethyl-4-Bora-3a,4a-Diaza-s-Indacene-3-Dodecanoate (CholEsteryl BODIPY™ FL C₁₂)

Can be used as general nonexchangeable membrane marker

Pricing & Availability

Fluocinolone Acetonide, Anhydrous, Micronized, USP, 97-102%, Spectrum™ Chemical

CAS: 67-73-2 Molecular Formula: C24H30F2O6 Molecular Weight (g/mol): 452.50 MDL Number: MFCD00010525 InChI Key: FEBLZLNTKCEFIT-VSXGLTOVSA-N IUPAC Name: (1S,2S,4R,8S,9S,11S,12R,13S,19S)-12,19-difluoro-11-hydroxy-8-(2-hydroxyacetyl)-6,6,9,13-tetramethyl-5,7-dioxapentacyclo[10.8.0.02,9.04,8.013,18]icosa-14,17-dien-16-one SMILES: CC1(C)O[C@@H]2C[C@H]3[C@@H]4C[C@H](F)C5=CC(=O)C=C[C@]5(C)[C@@]4(F)[C@@H](O)C[C@]3(C)[C@@]2(O1)C(=O)CO

Pricing & Availability
Specifications

CAS	67-73-2
Molecular Weight (g/mol)	452.50
MDL Number	MFCD00010525
SMILES	CC1(C)O[C@@H]2C[C@H]3[C@@H]4C[C@H](F)C5=CC(=O)C=C[C@]5(C)[C@@]4(F)[C@@H](O)C[C@]3(C)[C@@]2(O1)C(=O)CO
IUPAC Name	(1S,2S,4R,8S,9S,11S,12R,13S,19S)-12,19-difluoro-11-hydroxy-8-(2-hydroxyacetyl)-6,6,9,13-tetramethyl-5,7-dioxapentacyclo[10.8.0.02,9.04,8.013,18]icosa-14,17-dien-16-one
InChI Key	FEBLZLNTKCEFIT-VSXGLTOVSA-N
Molecular Formula	C24H30F2O6

Thermo Scientific Chemicals Flumethasone

CAS: 2135-17-3 Molecular Formula: C22H28F2O5 Molecular Weight (g/mol): 410.46 InChI Key: WXURHACBFYSXBI-GQKYHHCASA-N IUPAC Name: (1R,2R,3aS,3bS,5S,9aS,9bR,10S,11aS)-5,9b-difluoro-1,10-dihydroxy-1-(2-hydroxyacetyl)-2,9a,11a-trimethyl-1H,2H,3H,3aH,3bH,4H,5H,7H,9aH,9bH,10H,11H,11aH-cyclopenta[a]phenanthren-7-one SMILES: C[C@@H]1C[C@H]2[C@@H]3C[C@H](F)C4=CC(=O)C=C[C@]4(C)[C@@]3(F)[C@@H](O)C[C@]2(C)[C@@]1(O)C(=O)CO

Pricing & Availability
Specifications

CAS	2135-17-3
Molecular Weight (g/mol)	410.46
SMILES	C[C@@H]1C[C@H]2[C@@H]3C[C@H](F)C4=CC(=O)C=C[C@]4(C)[C@@]3(F)[C@@H](O)C[C@]2(C)[C@@]1(O)C(=O)CO
IUPAC Name	(1R,2R,3aS,3bS,5S,9aS,9bR,10S,11aS)-5,9b-difluoro-1,10-dihydroxy-1-(2-hydroxyacetyl)-2,9a,11a-trimethyl-1H,2H,3H,3aH,3bH,4H,5H,7H,9aH,9bH,10H,11H,11aH-cyclopenta[a]phenanthren-7-one
InChI Key	WXURHACBFYSXBI-GQKYHHCASA-N
Molecular Formula	C22H28F2O5

Thermo Scientific Chemicals 6-α-Methylprednisolone

CAS: 83-43-2 Molecular Formula: C22H30O5 Molecular Weight (g/mol): 374.48 MDL Number: MFCD00010591 InChI Key: VHRSUDSXCMQTMA-PJHHCJLFSA-N Synonym: methylprednisolone,medrol,medrone,urbason,methylprednisolon,6alpha-methylprednisolone,metilbetasone,medrate,metilprednisolone,dopomedrol PubChem CID: 6741 ChEBI: CHEBI:6888 IUPAC Name: (6S,8S,9S,10R,11S,13S,14S,17R)-11,17-dihydroxy-17-(2-hydroxyacetyl)-6,10,13-trimethyl-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthren-3-one SMILES: C[C@H]1C[C@H]2[C@@H]3CC[C@](O)(C(=O)CO)[C@@]3(C)C[C@H](O)[C@@H]2[C@@]2(C)C=CC(=O)C=C12

Pricing & Availability
Specifications

PubChem CID	6741
CAS	83-43-2
Molecular Weight (g/mol)	374.48
ChEBI	CHEBI:6888
MDL Number	MFCD00010591
SMILES	C[C@H]1C[C@H]2[C@@H]3CC[C@](O)(C(=O)CO)[C@@]3(C)C[C@H](O)[C@@H]2[C@@]2(C)C=CC(=O)C=C12
Synonym	methylprednisolone,medrol,medrone,urbason,methylprednisolon,6alpha-methylprednisolone,metilbetasone,medrate,metilprednisolone,dopomedrol
IUPAC Name	(6S,8S,9S,10R,11S,13S,14S,17R)-11,17-dihydroxy-17-(2-hydroxyacetyl)-6,10,13-trimethyl-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthren-3-one
InChI Key	VHRSUDSXCMQTMA-PJHHCJLFSA-N
Molecular Formula	C22H30O5

5alpha-Cholestane, 98+%

CAS: 481-21-0 Molecular Formula: C₂₇H₄₈ Molecular Weight (g/mol): 372.67 MDL Number: MFCD00066412 InChI Key: XIIAYQZJNBULGD-XWLABEFZSA-N Synonym: 5alpha-cholestane,5-alpha-cholestane,alpha-cholestane,cholestane,28,29,30-trinorlanostane,unii-u260hwn305,5alpha-cholestane 8ci,5?-cholestane,cholestane van PubChem CID: 2723895 ChEBI: CHEBI:35515 IUPAC Name: (5R,8R,9S,10S,13R,14S,17R)-10,13-dimethyl-17-[(2R)-6-methylheptan-2-yl]-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthrene SMILES: CC(C)CCCC(C)C1CCC2C1(CCC3C2CCC4C3(CCCC4)C)C

Pricing & Availability
Specifications

PubChem CID	2723895
CAS	481-21-0
Molecular Weight (g/mol)	372.67
ChEBI	CHEBI:35515
MDL Number	MFCD00066412
SMILES	CC(C)CCCC(C)C1CCC2C1(CCC3C2CCC4C3(CCCC4)C)C
Synonym	5alpha-cholestane,5-alpha-cholestane,alpha-cholestane,cholestane,28,29,30-trinorlanostane,unii-u260hwn305,5alpha-cholestane 8ci,5?-cholestane,cholestane van
IUPAC Name	(5R,8R,9S,10S,13R,14S,17R)-10,13-dimethyl-17-[(2R)-6-methylheptan-2-yl]-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthrene
InChI Key	XIIAYQZJNBULGD-XWLABEFZSA-N
Molecular Formula	C₂₇H₄₈

Thermo Scientific Chemicals Ouabain octahydrate, 96%

CAS: 11018-89-6 Molecular Formula: C₂₉H₄₄O₁₂·₈H₂O Molecular Weight (g/mol): 728.78 MDL Number: MFCD00149240 InChI Key: TYBARJRCFHUHSN-DMJRSANLSA-N Synonym: ouabain octahydrate,strophantine octahydrate,quabain octahydrate,ouabain usp,penta a phenanthren-17-yl-2h-furan-5-one;octahydrate,gamma-strophanthin,3-1r,3s,5s,8r,9s,10r,11r,13r,14s,17r-1,5,11,14-tetrahydroxy-10-hydroxymethyl-13-methyl-3-2r,3r,4r,5r,6s-3,4,5-trihydroxy-6-methyloxan-2-yl oxy-2,3,4,6,7,8,9,11,12,15,16,17-dodecahydro-1h-cyclo,prestwick_370,acocantherine;g-strophanthin PubChem CID: 6364534 IUPAC Name: 3-[(1R,3S,5S,8R,9S,10R,11R,13R,14S,17R)-1,5,11,14-tetrahydroxy-10-(hydroxymethyl)-13-methyl-3-[(2R,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxy-2,3,4,6,7,8,9,11,12,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-17-yl]-2H-furan-5-one;octahydrate SMILES: CC1C(C(C(C(O1)OC2CC(C3(C4C(CCC3(C2)O)C5(CCC(C5(CC4O)C)C6=CC(=O)OC6)O)CO)O)O)O)O.O.O.O.O.O.O.O.O

Pricing & Availability
Specifications

PubChem CID	6364534
CAS	11018-89-6
Molecular Weight (g/mol)	728.78
MDL Number	MFCD00149240
SMILES	CC1C(C(C(C(O1)OC2CC(C3(C4C(CCC3(C2)O)C5(CCC(C5(CC4O)C)C6=CC(=O)OC6)O)CO)O)O)O)O.O.O.O.O.O.O.O.O
Synonym	ouabain octahydrate,strophantine octahydrate,quabain octahydrate,ouabain usp,penta a phenanthren-17-yl-2h-furan-5-one;octahydrate,gamma-strophanthin,3-1r,3s,5s,8r,9s,10r,11r,13r,14s,17r-1,5,11,14-tetrahydroxy-10-hydroxymethyl-13-methyl-3-2r,3r,4r,5r,6s-3,4,5-trihydroxy-6-methyloxan-2-yl oxy-2,3,4,6,7,8,9,11,12,15,16,17-dodecahydro-1h-cyclo,prestwick_370,acocantherine;g-strophanthin
IUPAC Name	3-[(1R,3S,5S,8R,9S,10R,11R,13R,14S,17R)-1,5,11,14-tetrahydroxy-10-(hydroxymethyl)-13-methyl-3-[(2R,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxy-2,3,4,6,7,8,9,11,12,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-17-yl]-2H-furan-5-one;octahydrate
InChI Key	TYBARJRCFHUHSN-DMJRSANLSA-N
Molecular Formula	C₂₉H₄₄O₁₂·₈H₂O

Progesterone, 98%, Thermo Scientific Chemicals

CAS: 57-83-0 Molecular Formula: C₂₁H₃₀O₂ Molecular Weight (g/mol): 314.46 MDL Number: MFCD00003658 InChI Key: RJKFOVLPORLFTN-LEKSSAKUSA-N Synonym: progesterone,agolutin,luteohormone,pregn-4-ene-3,20-dione,crinone,4-pregnene-3,20-dione,corpus luteum hormone,progestin,syngesterone,utrogestan PubChem CID: 5994 ChEBI: CHEBI:17026 IUPAC Name: (8S,9S,10R,13S,14S,17S)-17-acetyl-10,13-dimethyl-1,2,6,7,8,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-3-one SMILES: CC(=O)C1CCC2C1(CCC3C2CCC4=CC(=O)CCC34C)C

Pricing & Availability
Specifications

PubChem CID	5994
CAS	57-83-0
Molecular Weight (g/mol)	314.46
ChEBI	CHEBI:17026
MDL Number	MFCD00003658
SMILES	CC(=O)C1CCC2C1(CCC3C2CCC4=CC(=O)CCC34C)C
Synonym	progesterone,agolutin,luteohormone,pregn-4-ene-3,20-dione,crinone,4-pregnene-3,20-dione,corpus luteum hormone,progestin,syngesterone,utrogestan
IUPAC Name	(8S,9S,10R,13S,14S,17S)-17-acetyl-10,13-dimethyl-1,2,6,7,8,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-3-one
InChI Key	RJKFOVLPORLFTN-LEKSSAKUSA-N
Molecular Formula	C₂₁H₃₀O₂

Chenodeoxycholic acid, Thermo Scientific Chemicals

CAS: 474-25-9 Molecular Formula: C24H40O4 Molecular Weight (g/mol): 392.58 MDL Number: MFCD00064142 InChI Key: RUDATBOHQWOJDD-BSWAIDMHSA-N Synonym: chenodexycholic acid,chenodeoxycholate anion,chenodeoxycholate 1-,3alpha, 7alpha-dihydroxy-5beta-cholanic acid,3alpha,7alpha-dihydroxy-5beta-cholan-24-oate,3alpha,7alpha-dihydroxy-5beta-cholan-24-oic acid anion,4r-4-3r,5s,7r,8r,9s,10s,13r,14s,17r-10,13-dimethyl-3,7-bis oxidanyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1h-cyclopenta a phenanthren-17-yl pentanoate,4r-4-3r,5s,7r,8r,9s,10s,13r,14s,17r-3,7-dihydroxy-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1h-cyclopenta a phenanthren-17-yl pentanoate PubChem CID: 9548590 ChEBI: CHEBI:36234 IUPAC Name: (4R)-4-[(1R,3aS,3bR,4R,5aS,7R,9aS,9bS,11aR)-4,7-dihydroxy-9a,11a-dimethyl-hexadecahydro-1H-cyclopenta[a]phenanthren-1-yl]pentanoic acid SMILES: [H][C@@]12CC[C@H]([C@H](C)CCC(O)=O)[C@@]1(C)CC[C@@]1([H])[C@@]2([H])[C@H](O)C[C@]2([H])C[C@H](O)CC[C@]12C

Pricing & Availability
Specifications

PubChem CID	9548590
CAS	474-25-9
Molecular Weight (g/mol)	392.58
ChEBI	CHEBI:36234
MDL Number	MFCD00064142
SMILES	[H][C@@]12CC[C@H]([C@H](C)CCC(O)=O)[C@@]1(C)CC[C@@]1([H])[C@@]2([H])[C@H](O)C[C@]2([H])C[C@H](O)CC[C@]12C
Synonym	chenodexycholic acid,chenodeoxycholate anion,chenodeoxycholate 1-,3alpha, 7alpha-dihydroxy-5beta-cholanic acid,3alpha,7alpha-dihydroxy-5beta-cholan-24-oate,3alpha,7alpha-dihydroxy-5beta-cholan-24-oic acid anion,4r-4-3r,5s,7r,8r,9s,10s,13r,14s,17r-10,13-dimethyl-3,7-bis oxidanyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1h-cyclopenta a phenanthren-17-yl pentanoate,4r-4-3r,5s,7r,8r,9s,10s,13r,14s,17r-3,7-dihydroxy-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1h-cyclopenta a phenanthren-17-yl pentanoate
IUPAC Name	(4R)-4-[(1R,3aS,3bR,4R,5aS,7R,9aS,9bS,11aR)-4,7-dihydroxy-9a,11a-dimethyl-hexadecahydro-1H-cyclopenta[a]phenanthren-1-yl]pentanoic acid
InChI Key	RUDATBOHQWOJDD-BSWAIDMHSA-N
Molecular Formula	C24H40O4

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