Phenanthrenes and derivatives

Alfa Aesar™ Hypericin, 98%

CAS: 548-04-9 Molecular Formula: C30H16O8 Molecular Weight (g/mol): 504.45 MDL Number: MFCD00016683 InChI Key: BTXNYTINYBABQR-UHFFFAOYSA-N Synonym: 1,3,4,6,8,13-hexahydroxy-10,11-dimethylphenanthro 1,10,9,8-opqra perylene-7,14-dione PubChem CID: 5281051 ChEBI: CHEBI:5835 SMILES: CC1=CC(=C2C3=C1C4=C5C(=C(C=C4C)O)C(=O)C6=C(C=C(C7=C6C5=C3C8=C7C(=CC(=C8C2=O)O)O)O)O)O

Rosin, gum, ACROS Organics™

CAS: 8050-09-7 Molecular Formula: C20H30O2 Molecular Weight (g/mol): 302.46 MDL Number: MFCD00132205 InChI Key: RSWGJHLUYNHPMX-UHFFFAOYNA-N Synonym: 4ar-7-isopropyl-1,4a-dimethyl-2,3,4,4b,5,6,10,10a-octahydrophenanthrene-1-carboxylic acid

Phenanthrenequinone, 95%, ACROS Organics™

CAS: 84-11-7 Molecular Formula: C14H8O2 Molecular Weight (g/mol): 208.22 MDL Number: MFCD00001163 InChI Key: YYVYAPXYZVYDHN-UHFFFAOYSA-N Synonym: 9,10-phenanthraquinone PubChem CID: 6763 ChEBI: CHEBI:37454 IUPAC Name: phenanthrene-9,10-dione SMILES: C1=CC=C2C(=C1)C3=CC=CC=C3C(=O)C2=O

Alfa Aesar™ Abietic acid, 90+%

CAS: 514-10-3 Molecular Formula: C20H30O2 Molecular Weight (g/mol): 302.458 MDL Number: MFCD03423567 InChI Key: RSWGJHLUYNHPMX-ONCXSQPRSA-N Synonym: 7,13-abietadien-18-oic acid PubChem CID: 10569 ChEBI: CHEBI:28987 IUPAC Name: (1R,4aR,4bR,10aR)-1,4a-dimethyl-7-propan-2-yl-2,3,4,4b,5,6,10,10a-octahydrophenanthrene-1-carboxylic acid SMILES: CC(C)C1=CC2=CCC3C(C2CC1)(CCCC3(C)C(=O)O)C

Fullerene powder, 99.9+% C{60}, Alfa Aesar™

CAS: 99685-96-8 Molecular Formula: C60 Molecular Weight (g/mol): 720.66 MDL Number: MFCD00282904 InChI Key: XMWRBQBLMFGWIX-UHFFFAOYSA-N Synonym: 5,6 fullerene-c60-ih PubChem CID: 123591 ChEBI: CHEBI:33128 IUPAC Name: (C\{60}-I\{h})[5,6]fullerene SMILES: C12=C3C4=C5C6=C1C7=C8C9=C1C%10=C%11C(=C29)C3=C2C3=C4C4=C5C5=C9C6=C7C6=C7C8=C1C1=C8C%10=C%10C%11=C2C2=C3C3=C4C4=C5C5=C%11C%12=C(C6=C95)C7=C1C1=C%12C5=C%11C4=C3C3=C5C(=C81)C%10=C23

2,3,6,7,10,11-Hexahydroxytriphenylene, 95%, Acros Organics™

CAS: 4877-80-9 Molecular Formula: C18H12O6 Molecular Weight (g/mol): 324.29 InChI Key: QMLILIIMKSKLES-UHFFFAOYSA-N Synonym: 2,3,6,7,10,11-hexa-hydroxytriphenylene PubChem CID: 11088610 IUPAC Name: triphenylene-2,3,6,7,10,11-hexol SMILES: C1=C2C3=CC(=C(C=C3C4=CC(=C(C=C4C2=CC(=C1O)O)O)O)O)O

Abietic acid, 85%, ACROS Organics™

CAS: 514-10-3 Molecular Formula: C20H30O2 Molecular Weight (g/mol): 302.458 MDL Number: MFCD03423567 InChI Key: RSWGJHLUYNHPMX-ONCXSQPRSA-N Synonym: 7,13-abietadien-18-oic acid PubChem CID: 10569 ChEBI: CHEBI:28987 IUPAC Name: (1R,4aR,4bR,10aR)-1,4a-dimethyl-7-propan-2-yl-2,3,4,4b,5,6,10,10a-octahydrophenanthrene-1-carboxylic acid SMILES: CC(C)C1=CC2=CCC3C(C2CC1)(CCCC3(C)C(=O)O)C

Alfa Aesar™ Fullerene powder, 99% C60

CAS: 99685-96-8 Molecular Formula: C60 Molecular Weight (g/mol): 720.66 MDL Number: MFCD00282904 InChI Key: XMWRBQBLMFGWIX-UHFFFAOYSA-N Synonym: 5,6 fullerene-c60-ih PubChem CID: 123591 ChEBI: CHEBI:33128 IUPAC Name: (C\{60}-I\{h})[5,6]fullerene SMILES: C12=C3C4=C5C6=C1C7=C8C9=C1C%10=C%11C(=C29)C3=C2C3=C4C4=C5C5=C9C6=C7C6=C7C8=C1C1=C8C%10=C%10C%11=C2C2=C3C3=C4C4=C5C5=C%11C%12=C(C6=C95)C7=C1C1=C%12C5=C%11C4=C3C3=C5C(=C81)C%10=C23

Alfa Aesar™ Rosin

CAS: 8050-09-7 Molecular Formula: C20H30O2 Molecular Weight (g/mol): 302.46 MDL Number: MFCD00132205 InChI Key: RSWGJHLUYNHPMX-UHFFFAOYNA-N Synonym: 4ar-7-isopropyl-1,4a-dimethyl-2,3,4,4b,5,6,10,10a-octahydrophenanthrene-1-carboxylic acid

Coronene 95%, ACROS Organics™

CAS: 191-07-1 Molecular Formula: C24H12 Molecular Weight (g/mol): 300.35 MDL Number: MFCD00004134 InChI Key: VPUGDVKSAQVFFS-UHFFFAOYSA-N Synonym: 6 circulene PubChem CID: 9115 ChEBI: CHEBI:29863 IUPAC Name: coronene SMILES: C1=CC2=C3C4=C1C=CC5=C4C6=C(C=C5)C=CC7=C6C3=C(C=C2)C=C7

Alfa Aesar™ Abietic acid, tech. 75%

CAS: 514-10-3 Molecular Formula: C20H30O2 Molecular Weight (g/mol): 302.458 MDL Number: MFCD03423567 InChI Key: RSWGJHLUYNHPMX-ONCXSQPRSA-N Synonym: 7,13-abietadien-18-oic acid PubChem CID: 10569 ChEBI: CHEBI:28987 IUPAC Name: (1R,4aR,4bR,10aR)-1,4a-dimethyl-7-propan-2-yl-2,3,4,4b,5,6,10,10a-octahydrophenanthrene-1-carboxylic acid SMILES: CC(C)C1=CC2=CCC3C(C2CC1)(CCCC3(C)C(=O)O)C

Fullerene C60, 99.9%, ACROS Organics™

CAS: 99685-96-8 Molecular Formula: C60 Molecular Weight (g/mol): 720.65 MDL Number: MFCD00151408 InChI Key: XMWRBQBLMFGWIX-UHFFFAOYSA-N Synonym: 5,6 fullerene-c60-ih PubChem CID: 123591 ChEBI: CHEBI:33128 IUPAC Name: (C\{60}-I\{h})[5,6]fullerene SMILES: C12=C3C4=C5C6=C1C7=C8C9=C1C%10=C%11C(=C29)C3=C2C3=C4C4=C5C5=C9C6=C7C6=C7C8=C1C1=C8C%10=C%10C%11=C2C2=C3C3=C4C4=C5C5=C%11C%12=C(C6=C95)C7=C1C1=C%12C5=C%11C4=C3C3=C5C(=C81)C%10=C23

Alfa Aesar™ Fullerene powder, sublimed, 99.9+% C{60}

CAS: 99685-96-8 Molecular Formula: C60 Molecular Weight (g/mol): 720.66 MDL Number: MFCD00151408 InChI Key: XMWRBQBLMFGWIX-UHFFFAOYSA-N Synonym: 5,6 fullerene-c60-ih PubChem CID: 123591 ChEBI: CHEBI:33128 IUPAC Name: (C\{60}-I\{h})[5,6]fullerene SMILES: C12=C3C4=C5C6=C1C7=C8C9=C1C%10=C%11C(=C29)C3=C2C3=C4C4=C5C5=C9C6=C7C6=C7C8=C1C1=C8C%10=C%10C%11=C2C2=C3C3=C4C4=C5C5=C%11C%12=C(C6=C95)C7=C1C1=C%12C5=C%11C4=C3C3=C5C(=C81)C%10=C23

2,3,6,7,10,11-Hexahydroxytriphenylene Hydrate 95.0+%, TCI America™

CAS: 4877-80-9 Molecular Formula: C18H12O6 Molecular Weight (g/mol): 324.288 MDL Number: MFCD01321170 InChI Key: QMLILIIMKSKLES-UHFFFAOYSA-N Synonym: 2,3,6,7,10,11-hexa-hydroxytriphenylene PubChem CID: 11088610 IUPAC Name: triphenylene-2,3,6,7,10,11-hexol SMILES: C1=C2C3=CC(=C(C=C3C4=CC(=C(C=C4C2=CC(=C1O)O)O)O)O)O

(+)-Dehydroabietylamine 90.0+%, TCI America™

CAS: 1446-61-3 Molecular Formula: C20H31N Molecular Weight (g/mol): 285.475 MDL Number: MFCD00213430 InChI Key: JVVXZOOGOGPDRZ-SLFFLAALSA-N Synonym: +-dehydroabietylamine PubChem CID: 62034 IUPAC Name: [(1R,4aS,10aR)-1,4a-dimethyl-7-propan-2-yl-2,3,4,9,10,10a-hexahydrophenanthren-1-yl]methanamine SMILES: CC(C)C1=CC2=C(C=C1)C3(CCCC(C3CC2)(C)CN)C

2,7-Dibromophenanthrene-9,10-dione 97.0+%, TCI America™

CAS: 84405-44-7 Molecular Formula: C14H6Br2O2 Molecular Weight (g/mol): 366.008 MDL Number: MFCD03931078 InChI Key: LTZIIBSPYWTOQV-UHFFFAOYSA-N PubChem CID: 265843 IUPAC Name: 2,7-dibromophenanthrene-9,10-dione SMILES: C1=CC2=C(C=C1Br)C(=O)C(=O)C3=C2C=CC(=C3)Br

Carnosic Acid (Synthetic) 97.0+%, TCI America™

CAS: 3650-09-7 Molecular Formula: C20H28O4 Molecular Weight (g/mol): 332.44 MDL Number: MFCD02259459 InChI Key: QRYRORQUOLYVBU-VBKZILBWSA-N Synonym: (4aR,10aS)-5,6-Dihydroxy-7-isopropyl-1,1-dimethyl-1,2,3,4,4a,9,10,10a-octahydrophenanthrene-4a-carboxylic Acid PubChem CID: 65126 ChEBI: CHEBI:65585 IUPAC Name: (4aR,10aS)-5,6-dihydroxy-1,1-dimethyl-7-propan-2-yl-2,3,4,9,10,10a-hexahydrophenanthrene-4a-carboxylic acid SMILES: CC(C)C1=C(C(=C2C(=C1)CCC3C2(CCCC3(C)C)C(=O)O)O)O

Violanthrone 79 95.0+%, TCI America™

CAS: 85652-50-2 Molecular Formula: C50H48O4 Molecular Weight (g/mol): 712.93 MDL Number: MFCD00491570 InChI Key: LLPQZABTDLOYAL-UHFFFAOYSA-N Synonym: 16,17-bis n-octyloxy anthra 9,1,2-cde benzo rst pentaphene-5,10-dione PubChem CID: 16217791 SMILES: CCCCCCCCOC1=C2C3=C(C=CC4=C3C(=C1)C5=CC=CC=C5C4=O)C6=C7C2=C(C=C8C7=C(C=C6)C(=O)C9=CC=CC=C98)OCCCCCCCC

9,10-Phenanthrenequinone 99.0+%, TCI America™

CAS: 84-11-7 Molecular Formula: C14H8O2 Molecular Weight (g/mol): 208.216 MDL Number: MFCD00001163 InChI Key: YYVYAPXYZVYDHN-UHFFFAOYSA-N Synonym: 9,10-phenanthraquinone PubChem CID: 6763 ChEBI: CHEBI:37454 IUPAC Name: phenanthrene-9,10-dione SMILES: C1=CC=C2C(=C1)C3=CC=CC=C3C(=O)C2=O

9,10-Phenanthrenequinone 98.0+%, TCI America™

CAS: 84-11-7 Molecular Formula: C14H8O2 Molecular Weight (g/mol): 208.216 MDL Number: MFCD00001163 InChI Key: YYVYAPXYZVYDHN-UHFFFAOYSA-N Synonym: 9,10-phenanthraquinone PubChem CID: 6763 ChEBI: CHEBI:37454 IUPAC Name: phenanthrene-9,10-dione SMILES: C1=CC=C2C(=C1)C3=CC=CC=C3C(=O)C2=O

Coronene 83.0+%, TCI America™

CAS: 191-07-1 Molecular Formula: C24H12 Molecular Weight (g/mol): 300.36 MDL Number: MFCD00004134 InChI Key: VPUGDVKSAQVFFS-UHFFFAOYSA-N Synonym: 6 circulene PubChem CID: 9115 ChEBI: CHEBI:29863 IUPAC Name: coronene SMILES: C1=CC2=C3C4=C1C=CC5=C4C6=C(C=C5)C=CC7=C6C3=C(C=C2)C=C7

Hypericin, Tocris Bioscience™

CAS: 548-04-9 Molecular Formula: C30H16O8 Molecular Weight (g/mol): 504.45 InChI Key: BTXNYTINYBABQR-UHFFFAOYSA-N Synonym: 1,3,4,6,8,13-hexahydroxy-10,11-dimethylphenanthro 1,10,9,8-opqra perylene-7,14-dione PubChem CID: 5281051 ChEBI: CHEBI:5835 SMILES: CC1=CC(=C2C3=C1C4=C5C(=C(C=C4C)O)C(=O)C6=C(C=C(C7=C6C5=C3C8=C7C(=CC(=C8C2=O)O)O)O)O)O

Coronene (purified by sublimation) 98.0+%, TCI America™

CAS: 191-07-1 Molecular Formula: C24H12 Molecular Weight (g/mol): 300.36 MDL Number: MFCD00004134 InChI Key: VPUGDVKSAQVFFS-UHFFFAOYSA-N Synonym: 6 circulene PubChem CID: 9115 ChEBI: CHEBI:29863 IUPAC Name: coronene SMILES: C1=CC2=C3C4=C1C=CC5=C4C6=C(C=C5)C=CC7=C6C3=C(C=C2)C=C7

Dibenzo[g,p]chrysene 98.0+%, TCI America™

CAS: 191-68-4 Molecular Formula: C26H16 Molecular Weight (g/mol): 328.414 InChI Key: GQDKQZAEQBGVBS-UHFFFAOYSA-N PubChem CID: 67449 SMILES: C1=CC=C2C(=C1)C3=CC=CC=C3C4=C2C5=CC=CC=C5C6=CC=CC=C64

Fullerene C60 99.0+%, TCI America™

CAS: 99685-96-8 Molecular Formula: C60 Molecular Weight (g/mol): 720.66 MDL Number: MFCD00151408 InChI Key: XMWRBQBLMFGWIX-UHFFFAOYSA-N Synonym: 5,6 fullerene-c60-ih PubChem CID: 123591 ChEBI: CHEBI:33128 IUPAC Name: (C\{60}-I\{h})[5,6]fullerene SMILES: C12=C3C4=C5C6=C1C7=C8C9=C1C%10=C%11C(=C29)C3=C2C3=C4C4=C5C5=C9C6=C7C6=C7C8=C1C1=C8C%10=C%10C%11=C2C2=C3C3=C4C4=C5C5=C%11C%12=C(C6=C95)C7=C1C1=C%12C5=C%11C4=C3C3=C5C(=C81)C%10=C23

Aristolochic acid, 96%, mixture of I and II, ACROS Organics™

CAS: 313-67-7 Molecular Formula: C17H11NO7 Molecular Weight (g/mol): 341.27 MDL Number: MFCD00004996 InChI Key: BBFQZRXNYIEMAW-UHFFFAOYSA-N Synonym: aristolochiazaeure PubChem CID: 2236 ChEBI: CHEBI:2825 SMILES: COC1=CC=CC2=C3C(=C(C=C21)[N+](=O)[O-])C(=CC4=C3OCO4)C(=O)O

Alfa Aesar™ Fullerene powder, mixed refined, typically 73% C{60}, 22% C{70}, higher 5%

CAS: 99685-96-8 Molecular Formula: C60 Molecular Weight (g/mol): 720.66 MDL Number: MFCD00282904 InChI Key: XMWRBQBLMFGWIX-UHFFFAOYSA-N Synonym: 5,6 fullerene-c60-ih PubChem CID: 123591 ChEBI: CHEBI:33128 IUPAC Name: (C\{60}-I\{h})[5,6]fullerene SMILES: C12=C3C4=C5C6=C1C7=C8C9=C1C%10=C%11C(=C29)C3=C2C3=C4C4=C5C5=C9C6=C7C6=C7C8=C1C1=C8C%10=C%10C%11=C2C2=C3C3=C4C4=C5C5=C%11C%12=C(C6=C95)C7=C1C1=C%12C5=C%11C4=C3C3=C5C(=C81)C%10=C23

Benzo[a]pyrene, 96%, Alfa Aesar™

CAS: 50-32-8 Molecular Formula: C20H12 Molecular Weight (g/mol): 252.316 MDL Number: MFCD00003602 InChI Key: FMMWHPNWAFZXNH-UHFFFAOYSA-N Synonym: 3,4-benz a pyrene PubChem CID: 2336 ChEBI: CHEBI:29865 IUPAC Name: benzo[a]pyrene SMILES: C1=CC=C2C3=C4C(=CC2=C1)C=CC5=C4C(=CC=C5)C=C3

Alfa Aesar™ 9,10-Phenanthrenequinone, 95%

CAS: 84-11-7 Molecular Formula: C14H8O2 Molecular Weight (g/mol): 208.216 MDL Number: MFCD00001163 InChI Key: YYVYAPXYZVYDHN-UHFFFAOYSA-N Synonym: 9,10-phenanthraquinone PubChem CID: 6763 ChEBI: CHEBI:37454 IUPAC Name: phenanthrene-9,10-dione SMILES: C1=CC=C2C(=C1)C3=CC=CC=C3C(=O)C2=O

(+)-Dehydroabietylamine hydrochloride, Alfa Aesar™

CAS: 16496-99-4 Molecular Formula: C20H32ClN Molecular Weight (g/mol): 321.933 MDL Number: MFCD00213430 InChI Key: CVPQLGCAWUAYPF-WFBUOHSLSA-N Synonym: +-dehydroabiethylamine hydrochloride PubChem CID: 16759156 IUPAC Name: [(1R,4aS,10aR)-1,4a-dimethyl-7-propan-2-yl-2,3,4,9,10,10a-hexahydrophenanthren-1-yl]methanamine;hydrochloride SMILES: CC(C)C1=CC2=C(C=C1)C3(CCCC(C3CC2)(C)CN)C.Cl

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