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(Q104946822)
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English
10-[3,4-Dihydroxy-5-(hydroxymethyl)oxolan-2-yl]oxy-1-hydroxy-1,2,6a,6b,9,9,12a-heptamethyl-2,3,4,5,6,6a,7,8,8a,10,11,12,13,14b-tetradecahydropicene-4a-carboxylic acid
group of stereoisomers with the chemical formula C₃₅H₅₆O₈
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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
604.3975187519999
dalton
1 reference
based on heuristic
inferred from InChI
chemical formula
C₃₅H₅₆O₈
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canonical SMILES
O=C(O)C12CCC(C)C(O)(C)C2C3=CCC4C5(C)CCC(OC6OC(CO)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(18-36)42-28/h8,19,21-28,36-38,41H,9-18H2,1-7H3,(H,39,40)
0 references
InChIKey
BVROVRQTLAUYFB-UHFFFAOYSA-N
0 references
PubChem CID
163084957
2 references
based on heuristic
inferred from InChIKey
matched by identifier from
InChIKey
InChIKey
BVROVRQTLAUYFB-UHFFFAOYSA-N
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