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(Q105302505)
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English
Methyl 11-acetyloxy-1,10-dihydroxy-1,2,6a,6b,9,9,12a-heptamethyl-2,3,4,5,6,6a,7,8,8a,10,11,12,13,14b-tetradecahydropicene-4a-carboxylate
group of stereoisomers with the chemical formula C₃₃H₅₂O₆
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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
544.7636
dalton
1 reference
based on heuristic
inferred from SMILES
chemical formula
C₃₃H₅₂O₆
0 references
canonical SMILES
O=C(OC1CC2(C)C3CC=C4C5C(O)(C)C(C)CCC5(C(=O)OC)CCC4(C)C3(C)CCC2C(C)(C)C1O)C
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Identifiers
InChI
InChI=1S/C33H52O6/c1-19-12-15-33(27(36)38-9)17-16-30(6)21(25(33)32(19,8)37)10-11-24-29(5)18-22(39-20(2)34)26(35)28(3,4)23(29)13-14-31(24,30)7/h10,19,22-26,35,37H,11-18H2,1-9H3
0 references
InChIKey
WDLTZQAZOXFRGL-UHFFFAOYSA-N
0 references
PubChem CID
73744534
2 references
based on heuristic
inferred from InChIKey
matched by identifier from
InChIKey
InChIKey
WDLTZQAZOXFRGL-UHFFFAOYSA-N
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