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(Q105024357)
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English
(8-Hydroxy-4,4,6a,6b,8a,12,14b-heptamethyl-11-methylidene-1,2,3,4a,5,6,6a,7,8,9,10,12,12a,13,14,14a-hexadecahydropicen-3-yl) icosanoate
group of stereoisomers with the chemical formula C₅₀H₈₈O₃
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Statements
instance of
group of stereoisomers
0 references
subclass of
taraxastane / ursane triterpenoid
1 reference
inferred from
taraxastane / ursane triterpenoid
mass
736.673346676
dalton
1 reference
based on heuristic
inferred from InChI
chemical formula
C₅₀H₈₈O₃
0 references
canonical SMILES
O=C(OC1CCC2(C)C(CCC3(C)C2CCC4C5C(C(=C)CCC5(C)C(O)CC43C)C)C1(C)C)CCCCCCCCCCCCCCCCCCC
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Identifiers
InChI
InChI=1S/C50H88O3/c1-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24-25-26-27-44(52)53-43-32-34-47(6)40(46(43,4)5)31-35-49(8)41(47)29-28-39-45-38(3)37(2)30-33-48(45,7)42(51)36-50(39,49)9/h38-43,45,51H,2,10-36H2,1,3-9H3
0 references
InChIKey
GZDRPLAWOKANMZ-UHFFFAOYSA-N
0 references
PubChem CID
72960115
2 references
based on heuristic
inferred from InChIKey
matched by identifier from
InChIKey
InChIKey
GZDRPLAWOKANMZ-UHFFFAOYSA-N
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