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(Q104981533)
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English
13-methoxy-2,4a,6a,6b,9,9,12a-heptamethyl-10-oxo-3,4,5,6,6a,7,8,8a,11,12,13,14b-dodecahydro-1H-picene-2-carboxylic acid
group of stereoisomers with the chemical formula C₃₁H₄₈O₄
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Statements
instance of
group of stereoisomers
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subclass of
oleanane triterpenoid
1 reference
inferred from
oleanane triterpenoid
mass
484.355260016
dalton
1 reference
based on heuristic
inferred from SMILES
chemical formula
C₃₁H₄₈O₄
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canonical SMILES
O=C(O)C1(C)CCC2(C)CCC3(C(=CC(OC)C4C5(C)CCC(=O)C(C)(C)C5CCC43C)C2C1)C
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Identifiers
InChI
InChI=1S/C31H48O4/c1-26(2)22-9-12-31(7)24(29(22,5)11-10-23(26)32)21(35-8)17-19-20-18-28(4,25(33)34)14-13-27(20,3)15-16-30(19,31)6/h17,20-22,24H,9-16,18H2,1-8H3,(H,33,34)
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InChIKey
DIOPDEKYKOCQAQ-UHFFFAOYSA-N
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PubChem CID
85235923
1 reference
stated in
PubChem
retrieved
17 September 2022
based on heuristic
inferred from InChIKey
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