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(Q105382148)
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English
[15-(5,6-Dimethylhept-6-en-2-yl)-7,12,16-trimethyl-6-pentacyclo[9.7.0.01,3.03,8.012,16]octadecanyl] octadeca-9,12-dienoate
group of stereoisomers with the chemical formula C₄₈H₈₀O₂
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Statements
instance of
group of stereoisomers
0 references
subclass of
4,14-dimethyl-9,19-cycloergostane steroid
1 reference
inferred from
4,14-dimethyl-9,19-cycloergostane steroid
mass
688.6158318
dalton
1 reference
based on heuristic
inferred from InChI
chemical formula
C₄₈H₈₀O₂
0 references
canonical SMILES
O=C(OC1CCC23CC43CCC5(C)C(CCC5(C)C4CCC2C1C)C(C)CCC(C(=C)C)C)CCCCCCCC=CCC=CCCCCC
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Identifiers
InChI
InChI=1S/C48H80O2/c1-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24-44(49)50-42-30-32-47-35-48(47)34-33-45(7)40(38(5)26-25-37(4)36(2)3)29-31-46(45,8)43(48)28-27-41(47)39(42)6/h13-14,16-17,37-43H,2,9-12,15,18-35H2,1,3-8H3
0 references
InChIKey
ZROUYPIYKXGEAC-UHFFFAOYSA-N
0 references
PubChem CID
162873022
2 references
based on heuristic
inferred from InChIKey
matched by identifier from
InChIKey
InChIKey
ZROUYPIYKXGEAC-UHFFFAOYSA-N
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