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(Q105325710)
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English
10-(acetyloxy)-1,2,6a,6b,9,9,12a-heptamethyl-13-oxo-1,2,3,4,5,6,7,8,8a,10,11,12,12b,14b-tetradecahydropicene-4a-carboxylic acid
group of stereoisomers with the chemical formula C₃₂H₄₈O₅
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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
512.7217
dalton
1 reference
based on heuristic
inferred from SMILES
chemical formula
C₃₂H₄₈O₅
0 references
canonical SMILES
O=C(OC1CCC2(C)C3C(=O)C=C4C5C(C)C(C)CCC5(C(=O)O)CCC4(C)C3(C)CCC2C1(C)C)C
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Identifiers
InChI
InChI=1S/C32H48O5/c1-18-9-14-32(27(35)36)16-15-30(7)21(25(32)19(18)2)17-22(34)26-29(6)12-11-24(37-20(3)33)28(4,5)23(29)10-13-31(26,30)8/h17-19,23-26H,9-16H2,1-8H3,(H,35,36)
0 references
InChIKey
XDHCWTUZCOFKRH-UHFFFAOYSA-N
0 references
PubChem CID
3999708
2 references
based on heuristic
inferred from InChIKey
matched by identifier from
InChIKey
InChIKey
XDHCWTUZCOFKRH-UHFFFAOYSA-N
UniChem compound ID
29087944
1 reference
stated in
UniChem
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