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(Q105348384)
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English
Stigmasta-4,6,8(14)-trien-3-one
chemical compound
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Statements
instance of
type of chemical entity
0 references
subclass of
17-(5-Ethyl-6-methylheptan-2-yl)-10,13-dimethyl-1,2,9,11,12,15,16,17-octahydrocyclopenta[a]phenanthren-3-one
1 reference
based on heuristic
inferred from SMILES
mass
408.339216028
dalton
1 reference
based on heuristic
inferred from SMILES
chemical formula
C₂₉H₄₄O
0 references
canonical SMILES
O=C1C=C2C=CC3=C4CCC(C(C)CCC(CC)C(C)C)C4(C)CCC3C2(C)CC1
0 references
isomeric SMILES
CC[C@H](CC[C@@H](C)[C@H]1CCC2=C3C=CC4=CC(=O)CC[C@]4(C)[C@H]3CC[C@@]21C)C(C)C
0 references
found in taxon
Lamellodysidea herbacea
1 reference
stated in
Marine Sterols. XXII. Occurrence of 3-Oxo-4,6,8(14)-triunsaturated Steroids in the Sponge Dysidea herbacea.
Identifiers
InChI
InChI=1S/C29H44O/c1-7-21(19(2)3)9-8-20(4)25-12-13-26-24-11-10-22-18-23(30)14-16-28(22,5)27(24)15-17-29(25,26)6/h10-11,18-21,25,27H,7-9,12-17H2,1-6H3/t20-,21-,25-,27+,28+,29-/m1/s1
0 references
InChIKey
YHGFFFOYMOXFLH-CPRBRYNJSA-N
0 references
PubChem CID
101622422
2 references
stated in
PubChem
retrieved
17 September 2022
based on heuristic
inferred from InChIKey
matched by identifier from
InChIKey
InChIKey
YHGFFFOYMOXFLH-CPRBRYNJSA-N
UniChem compound ID
97311613
1 reference
stated in
UniChem
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