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(Q105162741)
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English
1-hydroxy-1,2,6a,6b,9,9,12a-heptamethyl-10-[(3,4,5-trihydroxyoxan-2-yl)oxy]-2,3,4,5,6,7,8,8a,10,11,12,12b,13,14b-tetradecahydropicene-4a-carboxylic acid
group of stereoisomers with the chemical formula C₃₅H₅₆O₈
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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
604.8157
dalton
1 reference
based on heuristic
inferred from SMILES
chemical formula
C₃₅H₅₆O₈
0 references
canonical SMILES
O=C(O)C12CCC(C)C(O)(C)C2C3=CCC4C5(C)CCC(OC6OCC(O)C(O)C6O)C(C)(C)C5CCC4(C)C3(C)CC1
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Identifiers
InChI
InChI=1S/C35H56O8/c1-19-10-15-35(29(39)40)17-16-32(5)20(27(35)34(19,7)41)8-9-23-31(4)13-12-24(30(2,3)22(31)11-14-33(23,32)6)43-28-26(38)25(37)21(36)18-42-28/h8,19,21-28,36-38,41H,9-18H2,1-7H3,(H,39,40)
0 references
InChIKey
MFIXLWYJTVEVGO-UHFFFAOYSA-N
0 references
PubChem CID
12447835
2 references
based on heuristic
inferred from InChIKey
matched by identifier from
InChIKey
InChIKey
MFIXLWYJTVEVGO-UHFFFAOYSA-N
UniChem compound ID
69878574
1 reference
stated in
UniChem
Probes And Drugs ID
PD098829
0 references
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