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(Q105346181)
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English
methyl 10-hydroxy-1,2,6a,6b,9,9,12a-heptamethyl-2,3,4,5,6,7,8,8a,10,11,12,12b,13,14b-tetradecahydro-1H-picene-4a-carboxylate
group of stereoisomers with the chemical formula C₃₁H₅₀O₃
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Statements
instance of
group of stereoisomers
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subclass of
taraxastane / ursane triterpenoid
1 reference
inferred from
taraxastane / ursane triterpenoid
mass
470.3759954599999
dalton
1 reference
based on heuristic
inferred from InChI
chemical formula
C₃₁H₅₀O₃
0 references
canonical SMILES
O=C(OC)C12CCC(C)C(C)C2C3=CCC4C5(C)CCC(O)C(C)(C)C5CCC4(C)C3(C)CC1
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Identifiers
InChI
InChI=1S/C31H50O3/c1-19-11-16-31(26(33)34-8)18-17-29(6)21(25(31)20(19)2)9-10-23-28(5)14-13-24(32)27(3,4)22(28)12-15-30(23,29)7/h9,19-20,22-25,32H,10-18H2,1-8H3
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InChIKey
YCBSMEKEDOHEQI-UHFFFAOYSA-N
0 references
PubChem CID
621719
2 references
based on heuristic
inferred from InChIKey
matched by identifier from
InChIKey
InChIKey
YCBSMEKEDOHEQI-UHFFFAOYSA-N
UniChem compound ID
44797872
1 reference
stated in
UniChem
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