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(Q104987743)
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English
4-hydroxy-3a,5a,5b,8,8,11a-hexamethyl-1-(prop-1-en-2-yl)-hexadecahydrocyclopenta[a]chrysen-9-yl hexadecanoate
group of stereoisomers with the chemical formula C₄₆H₈₀O₃
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Statements
instance of
group of stereoisomers
0 references
subclass of
lupane
1 reference
inferred from
lupane
mass
680.61074642
dalton
1 reference
based on heuristic
inferred from InChI
chemical formula
C₄₆H₈₀O₃
0 references
canonical SMILES
O=C(OC1CCC2(C)C(CCC3(C)C2CCC4C5C(C(=C)C)CCC5(C)C(O)CC43C)C1(C)C)CCCCCCCCCCCCCCC
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Identifiers
InChI
InChI=1S/C46H80O3/c1-10-11-12-13-14-15-16-17-18-19-20-21-22-23-40(48)49-39-28-30-43(6)36(42(39,4)5)27-31-45(8)37(43)25-24-35-41-34(33(2)3)26-29-44(41,7)38(47)32-46(35,45)9/h34-39,41,47H,2,10-32H2,1,3-9H3
0 references
InChIKey
DSAMWSFCGLZQHC-UHFFFAOYSA-N
0 references
PubChem CID
13915591
1 reference
matched by identifier from
InChIKey
InChIKey
DSAMWSFCGLZQHC-UHFFFAOYSA-N
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