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(Q125033390)
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English
cholesta4,22-dien-3-one
No description defined
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Statements
instance of
group of stereoisomers
0 references
subclass of
(1R,7S,9aS,11aR)-1-(5,6-dimethylheptan-2-yl)-9a,11a-dimethyl-1H,2H,3H,3aH,5H,5aH,6H,7H,8H,9H,9bH,10H,11H-cyclopenta[a]phenanthren-7-ol
1 reference
based on heuristic
inferred from SMILES
mass
400.370516156
dalton
1 reference
based on heuristic
inferred from SMILES
chemical formula
C₂₈H₄₈O
0 references
canonical SMILES
OC1CCC2(C)C3C(=CCC2C1)C4CCC(C(C)CCC(C)C(C)C)C4(C)CC3
0 references
isomeric SMILES
CC(C)C(C)CC[C@@H](C)[C@H]1CC[C@H]2C3=CCC4C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@]12C
0 references
found in taxon
Senna tora
1 reference
stated in
Sterols and Fatty Acids of Two Caesalpiniaceae
Identifiers
InChI
InChI=1S/C28H48O/c1-18(2)19(3)7-8-20(4)24-11-12-25-23-10-9-21-17-22(29)13-15-27(21,5)26(23)14-16-28(24,25)6/h10,18-22,24-26,29H,7-9,11-17H2,1-6H3/t19?,20-,21?,22+,24-,25+,26+,27+,28-/m1/s1
0 references
InChIKey
PUGBZUWUTZUUCP-JYDNDKMDSA-N
0 references
PubChem CID
12308939
2 references
stated in
PubChem
retrieved
26 April 2024
based on heuristic
inferred from InChIKey
matched by identifier from
InChIKey
InChIKey
PUGBZUWUTZUUCP-JYDNDKMDSA-N
SureChEMBL ID
SCHEMBL6900565
2 references
based on heuristic
inferred from InChIKey
matched by identifier from
InChIKey
InChIKey
PUGBZUWUTZUUCP-JYDNDKMDSA-N
KNApSAcK ID
C00052617
2 references
based on heuristic
inferred from InChIKey
matched by identifier from
InChIKey
InChIKey
PUGBZUWUTZUUCP-JYDNDKMDSA-N
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