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Diterpenoids

A large, structurally diverse class of natural products derived from four C5 isoprene units joined in a head-tail format; the basis of biologically important compounds such as retinol, retinal, and phytol; antimicrobial and anti-inflammatory.
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1

Isophytol 95.0+%, TCI America™

CAS: 505-32-8 Molecular Formula: C20H40O Molecular Weight (g/mol): 296.539 MDL Number: MFCD00048380 InChI Key: KEVYVLWNCKMXJX-UHFFFAOYSA-N Synonym: isophytol,3,7,11,15-tetramethyl-1-hexadecen-3-ol,1-hexadecen-3-ol, 3,7,11,15-tetramethyl,2,6,10,14-tetramethylhexadec-15-en-14-ol,2,6,10-trimethyl-14-vinylpentadecan-14-ol,1-hexadecene-3-ol, 3,7,11,15-tetramethyl,1-phyten-3-ol,iso-phytol,dsstox_cid_5474 PubChem CID: 10453 IUPAC Name: 3,7,11,15-tetramethylhexadec-1-en-3-ol SMILES: CC(C)CCCC(C)CCCC(C)CCCC(C)(C=C)O

PubChem CID 10453
CAS 505-32-8
Molecular Weight (g/mol) 296.539
MDL Number MFCD00048380
SMILES CC(C)CCCC(C)CCCC(C)CCCC(C)(C=C)O
Synonym isophytol,3,7,11,15-tetramethyl-1-hexadecen-3-ol,1-hexadecen-3-ol, 3,7,11,15-tetramethyl,2,6,10,14-tetramethylhexadec-15-en-14-ol,2,6,10-trimethyl-14-vinylpentadecan-14-ol,1-hexadecene-3-ol, 3,7,11,15-tetramethyl,1-phyten-3-ol,iso-phytol,dsstox_cid_5474
IUPAC Name 3,7,11,15-tetramethylhexadec-1-en-3-ol
InChI Key KEVYVLWNCKMXJX-UHFFFAOYSA-N
Molecular Formula C20H40O
2

Phytantriol (mixture of isomers) 95.0+%, TCI America™

CAS: 74563-64-7 Molecular Formula: C20H42O3 Molecular Weight (g/mol): 330.55 MDL Number: MFCD00129085 InChI Key: CGIHFIDULQUVJG-UHFFFAOYNA-N Synonym: 3,7,11,15-Tetramethylhexadecane-1,2,3-triol, 1,2,3-Trihydroxy-3,7,11,15-tetramethylhexadecane PubChem CID: 3018525 ChEBI: CHEBI:47770 IUPAC Name: 3,7,11,15-tetramethylhexadecane-1,2,3-triol SMILES: CC(C)CCCC(C)CCCC(C)CCCC(C)(O)C(O)CO

PubChem CID 3018525
CAS 74563-64-7
Molecular Weight (g/mol) 330.55
ChEBI CHEBI:47770
MDL Number MFCD00129085
SMILES CC(C)CCCC(C)CCCC(C)CCCC(C)(O)C(O)CO
Synonym 3,7,11,15-Tetramethylhexadecane-1,2,3-triol, 1,2,3-Trihydroxy-3,7,11,15-tetramethylhexadecane
IUPAC Name 3,7,11,15-tetramethylhexadecane-1,2,3-triol
InChI Key CGIHFIDULQUVJG-UHFFFAOYNA-N
Molecular Formula C20H42O3
3

Phytyl Acetate (cis- and trans- mixture) 88.0+%, TCI America™

CAS: 10236-16-5 Molecular Formula: C22H42O2 Molecular Weight (g/mol): 338.58 MDL Number: MFCD00673238 InChI Key: JIGCTXHIECXYRJ-ILWBRPEASA-N Synonym: Acetic Acid 3,7,11,15-Tetramethyl-2-hexadecenyl Ester, 3,7,11,15-Tetramethyl-2-hexadecenyl Acetate PubChem CID: 53425386 IUPAC Name: (2E,7R,11R)-3,7,11,15-tetramethylhexadec-2-en-1-yl acetate SMILES: CC(C)CCC[C@@H](C)CCC[C@@H](C)CCC\C(C)=C\COC(C)=O

PubChem CID 53425386
CAS 10236-16-5
Molecular Weight (g/mol) 338.58
MDL Number MFCD00673238
SMILES CC(C)CCC[C@@H](C)CCC[C@@H](C)CCC\C(C)=C\COC(C)=O
Synonym Acetic Acid 3,7,11,15-Tetramethyl-2-hexadecenyl Ester, 3,7,11,15-Tetramethyl-2-hexadecenyl Acetate
IUPAC Name (2E,7R,11R)-3,7,11,15-tetramethylhexadec-2-en-1-yl acetate
InChI Key JIGCTXHIECXYRJ-ILWBRPEASA-N
Molecular Formula C22H42O2
4

Geranyl-linalool (mixture of isomers) 90.0+%, TCI America™

CAS: 68931-30-6 Molecular Formula: C20H34O Molecular Weight (g/mol): 290.491 MDL Number: MFCD00059363 InChI Key: IQDXAJNQKSIPGB-HQSZAHFGSA-N Synonym: 3,7,11,15-Tetramethyl-1,6,10,14-hexadecatetraen-3-ol PubChem CID: 5365872 ChEBI: CHEBI:74299 IUPAC Name: (6E,10E)-3,7,11,15-tetramethylhexadeca-1,6,10,14-tetraen-3-ol SMILES: CC(=CCCC(=CCCC(=CCCC(C)(C=C)O)C)C)C

PubChem CID 5365872
CAS 68931-30-6
Molecular Weight (g/mol) 290.491
ChEBI CHEBI:74299
MDL Number MFCD00059363
SMILES CC(=CCCC(=CCCC(=CCCC(C)(C=C)O)C)C)C
Synonym 3,7,11,15-Tetramethyl-1,6,10,14-hexadecatetraen-3-ol
IUPAC Name (6E,10E)-3,7,11,15-tetramethylhexadeca-1,6,10,14-tetraen-3-ol
InChI Key IQDXAJNQKSIPGB-HQSZAHFGSA-N
Molecular Formula C20H34O