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(Q105111941)
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English
(3S)-5-[(1R,4aS,5S,8aS)-5-(hydroxymethyl)-5,8a-dimethyl-2-methylidene-3,4,4a,6,7,8-hexahydro-1H-naphthalen-1-yl]-3-methylpent-1-en-3-ol
chemical compound
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Statements
instance of
type of chemical entity
0 references
subclass of
(3S)-5-[(4aR,5R,8aR)-5-(hydroxymethyl)-5,8a-dimethyl-2-methylidene-3,4,4a,6,7,8-hexahydro-1H-naphthalen-1-yl]-3-methylpent-1-en-3-ol
1 reference
based on heuristic
inferred from SMILES
mass
306.255880328
dalton
1 reference
based on heuristic
inferred from SMILES
stereoisomer of
Torreferol
2 references
based on heuristic
inferred from InChIKey
based on heuristic
inferred from InChI
(3R)-5-[(1R,4aS,5S,8aS)-5-(hydroxymethyl)-5,8a-dimethyl-2-methylidene-3,4,4a,6,7,8-hexahydro-1H-naphthalen-1-yl]-3-methylpent-1-en-3-ol
2 references
based on heuristic
inferred from InChIKey
based on heuristic
inferred from InChI
Epitorulosol
2 references
based on heuristic
inferred from InChIKey
based on heuristic
inferred from InChI
13-Epitorreferol
1 reference
based on heuristic
inferred from InChI
CID 12444399
1 reference
based on heuristic
inferred from InChI
(3S)-5-[(1S,4aR,5S,8aS)-5-(hydroxymethyl)-5,8a-dimethyl-2-methylidene-3,4,4a,6,7,8-hexahydro-1H-naphthalen-1-yl]-3-methylpent-1-en-3-ol
1 reference
based on heuristic
inferred from InChI
chemical formula
C₂₀H₃₄O₂
0 references
canonical SMILES
OCC1(C)CCCC2(C)C(C(=C)CCC12)CCC(O)(C=C)C
0 references
isomeric SMILES
C=C[C@@](C)(O)CC[C@@H]1C(=C)CC[C@@H]2[C@@](C)(CO)CCC[C@]21C
0 references
found in taxon
Erythroxylum rotundifolium
1 reference
stated in
Diterpenes from the timber of 20 Erythroxylum species
Identifiers
InChI
InChI=1S/C20H34O2/c1-6-19(4,22)13-10-16-15(2)8-9-17-18(3,14-21)11-7-12-20(16,17)5/h6,16-17,21-22H,1-2,7-14H2,3-5H3/t16-,17-,18-,19-,20+/m1/s1
0 references
InChIKey
IERFAZQCIAZODG-WAPOTWQKSA-N
0 references
PubChem CID
25803329
1 reference
stated in
PubChem
retrieved
17 September 2022
based on heuristic
inferred from InChIKey
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