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(Q104921264)
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English
3-Hydroxycholesta-5,8,22-trien-7-one
chemical compound
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Statements
instance of
type of chemical entity
0 references
subclass of
3-Hydroxy-10,13-dimethyl-17-(6-methylhept-3-en-2-yl)-1,2,3,4,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthren-7-one
1 reference
based on heuristic
inferred from SMILES
mass
396.30283052
dalton
1 reference
based on heuristic
inferred from SMILES
chemical formula
C₂₇H₄₀O₂
0 references
canonical SMILES
O=C1C=C2CC(O)CCC2(C3=C1C4CCC(C(C=CCC(C)C)C)C4(C)CC3)C
0 references
isomeric SMILES
CC(C)C/C=C/[C@@H](C)[C@H]1CC[C@H]2C3=C(CC[C@@]21C)[C@@]1(C)CC[C@H](O)CC1=CC3=O
0 references
found in taxon
Clathrina clathrus
1 reference
stated in
Three new 7-keto sterols from the Mediterranean sponge Clathrina clathrus
Topsentia
1 reference
stated in
26,27-cyclosterols and other polyoxygenated sterols from a marine sponge Topsentia sp.
Identifiers
InChI
InChI=1S/C27H40O2/c1-17(2)7-6-8-18(3)21-9-10-22-25-23(12-14-27(21,22)5)26(4)13-11-20(28)15-19(26)16-24(25)29/h6,8,16-18,20-22,28H,7,9-15H2,1-5H3/b8-6+/t18-,20+,21-,22+,26+,27-/m1/s1
0 references
InChIKey
AYNFEPVYJBGXLS-ODMVIQNVSA-N
0 references
PubChem CID
6439096
2 references
stated in
PubChem
retrieved
17 September 2022
based on heuristic
inferred from InChIKey
matched by identifier from
InChIKey
InChIKey
AYNFEPVYJBGXLS-ODMVIQNVSA-N
UniChem compound ID
406218
1 reference
stated in
UniChem
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