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(Q105269809)
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English
3a,5a,5b,8,8,11a-hexamethyl-1-(prop-1-en-2-yl)-hexadecahydrocyclopenta[a]chrysen-9-yl octadecanoate
group of stereoisomers with the chemical formula C₄₈H₈₄O₂
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Statements
instance of
group of stereoisomers
0 references
subclass of
lupane
1 reference
inferred from
lupane
mass
692.647131928
dalton
1 reference
based on heuristic
inferred from InChI
chemical formula
C₄₈H₈₄O₂
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canonical SMILES
O=C(OC1CCC2(C)C(CCC3(C)C2CCC4C5C(C(=C)C)CCC5(C)CCC43C)C1(C)C)CCCCCCCCCCCCCCCCC
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Identifiers
InChI
InChI=1S/C48H84O2/c1-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24-25-42(49)50-41-30-32-46(7)39(44(41,4)5)29-33-48(9)40(46)27-26-38-43-37(36(2)3)28-31-45(43,6)34-35-47(38,48)8/h37-41,43H,2,10-35H2,1,3-9H3
0 references
InChIKey
UCCCAIOWWOYXLE-UHFFFAOYSA-N
0 references
PubChem CID
14486641
2 references
based on heuristic
inferred from InChIKey
matched by identifier from
InChIKey
InChIKey
UCCCAIOWWOYXLE-UHFFFAOYSA-N
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