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(Q105259512)
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English
methyl 4-hydroxy-9-(hydroxymethyl)-1,4a,6a,6b,9,12a-hexamethyl-10-oxo-1,2,3,4,5,6,7,8,8a,11,12,12b,13,14b-tetradecahydropicene-2-carboxylate
group of stereoisomers with the chemical formula C₃₁H₄₈O₅
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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
500.35017463599985
dalton
1 reference
based on heuristic
inferred from InChI
chemical formula
C₃₁H₄₈O₅
0 references
canonical SMILES
O=C(OC)C1CC(O)C2(C)CCC3(C(=CCC4C5(C)CCC(=O)C(C)(CO)C5CCC43C)C2C1C)C
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Identifiers
InChI
InChI=1S/C31H48O5/c1-18-19(26(35)36-7)16-24(34)28(3)14-15-30(5)20(25(18)28)8-9-22-27(2)12-11-23(33)29(4,17-32)21(27)10-13-31(22,30)6/h8,18-19,21-22,24-25,32,34H,9-17H2,1-7H3
0 references
InChIKey
SRYDLKHOJXZMCJ-UHFFFAOYSA-N
0 references
PubChem CID
14466909
2 references
based on heuristic
inferred from InChIKey
matched by identifier from
InChIKey
InChIKey
SRYDLKHOJXZMCJ-UHFFFAOYSA-N
UniChem compound ID
76251387
1 reference
stated in
UniChem
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