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(Q105148305)
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English
13-ethoxy-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 C₃₂H₅₀O₄
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Statements
instance of
group of stereoisomers
0 references
subclass of
oleanane triterpenoid
1 reference
inferred from
oleanane triterpenoid
mass
498.37091008
dalton
1 reference
based on heuristic
inferred from SMILES
chemical formula
C₃₂H₅₀O₄
0 references
canonical SMILES
O=C(O)C1(C)CCC2(C)CCC3(C(=CC(OCC)C4C5(C)CCC(=O)C(C)(C)C5CCC43C)C2C1)C
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Identifiers
InChI
InChI=1S/C32H50O4/c1-9-36-22-18-20-21-19-29(5,26(34)35)15-14-28(21,4)16-17-31(20,7)32(8)13-10-23-27(2,3)24(33)11-12-30(23,6)25(22)32/h18,21-23,25H,9-17,19H2,1-8H3,(H,34,35)
0 references
InChIKey
KZKWPSFPAWXVEN-UHFFFAOYSA-N
0 references
PubChem CID
73106739
2 references
stated in
PubChem
retrieved
17 September 2022
based on heuristic
inferred from InChIKey
matched by identifier from
InChIKey
InChIKey
KZKWPSFPAWXVEN-UHFFFAOYSA-N
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