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(Q105352459)
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English
Methyl 4-hydroxy-1,4a,6a,6b,9,9,12a-heptamethyl-10-oxo-1,2,3,4,5,6,6a,7,8,8a,11,12,13,14b-tetradecahydropicene-2-carboxylate
group of stereoisomers with the chemical formula C₃₁H₄₈O₄
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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
484.355260016
dalton
1 reference
based on heuristic
inferred from SMILES
chemical formula
C₃₁H₄₈O₄
0 references
canonical SMILES
O=C(OC)C1CC(O)C2(C)CCC3(C(=CCC4C5(C)CCC(=O)C(C)(C)C5CCC43C)C2C1C)C
0 references
found in taxon
Tripterygium regelii
1 reference
stated in
Medicinal chemistry and pharmacology of genus Tripterygium (Celastraceae)
Tripterygium wilfordii
1 reference
stated in
Medicinal chemistry and pharmacology of genus Tripterygium (Celastraceae)
Identifiers
InChI
InChI=1S/C31H48O4/c1-18-19(26(34)35-8)17-24(33)29(5)15-16-30(6)20(25(18)29)9-10-22-28(4)13-12-23(32)27(2,3)21(28)11-14-31(22,30)7/h9,18-19,21-22,24-25,33H,10-17H2,1-8H3
0 references
InChIKey
YQPSLCRGQUNTRC-UHFFFAOYSA-N
0 references
PubChem CID
14466907
2 references
stated in
PubChem
retrieved
26 December 2021
inferred from
InChIKey
matched by identifier from
InChIKey
InChIKey
YQPSLCRGQUNTRC-UHFFFAOYSA-N
UniChem compound ID
76251386
1 reference
stated in
UniChem
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