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(Q105141555)
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English
10-Acetyloxy-1-hydroxy-1,2,6a,6b,9,9,12a-heptamethyl-2,3,4,5,6,6a,7,8,8a,10,11,12,13,14b-tetradecahydropicene-4a-carboxylic acid
group of stereoisomers with the chemical formula C₃₂H₅₀O₅
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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
514.3658246999998
dalton
1 reference
based on heuristic
inferred from InChI
chemical formula
C₃₂H₅₀O₅
0 references
canonical SMILES
O=C(OC1CCC2(C)C(CCC3(C)C2CC=C4C5C(O)(C)C(C)CCC5(C(=O)O)CCC43C)C1(C)C)C
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Identifiers
InChI
InChI=1S/C32H50O5/c1-19-11-16-32(26(34)35)18-17-29(6)21(25(32)31(19,8)36)9-10-23-28(5)14-13-24(37-20(2)33)27(3,4)22(28)12-15-30(23,29)7/h9,19,22-25,36H,10-18H2,1-8H3,(H,34,35)
0 references
InChIKey
KIJYSICAJWQCER-UHFFFAOYSA-N
0 references
PubChem CID
73123091
2 references
based on heuristic
inferred from InChIKey
matched by identifier from
InChIKey
InChIKey
KIJYSICAJWQCER-UHFFFAOYSA-N
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