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(Q105383086)
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English
4-{2,3a-dihydroxy-7-[(4-hydroxy-6-methyl-5-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}oxan-2-yl)oxy]-9a,11a-dimethyl-tetradecahydrocyclopenta[a]phenanthren-1-yl}-5H-furan-2-one
group of stereoisomers with the chemical formula C₃₅H₅₄O₁₃
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Statements
instance of
group of stereoisomers
0 references
subclass of
cardanolides
1 reference
inferred from
cardanolides
mass
682.3564417880001
dalton
1 reference
based on heuristic
inferred from InChI
chemical formula
C₃₅H₅₄O₁₃
0 references
canonical SMILES
O=C1OCC(=C1)C2C(O)CC3(O)C4CCC5CC(OC6OC(C)C(OC7OC(CO)C(O)C(O)C7O)C(O)C6)CCC5(C)C4CCC23C
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Identifiers
InChI
InChI=1S/C35H54O13/c1-16-31(48-32-30(42)29(41)28(40)24(14-36)47-32)22(37)12-26(45-16)46-19-6-8-33(2)18(11-19)4-5-21-20(33)7-9-34(3)27(17-10-25(39)44-15-17)23(38)13-35(21,34)43/h10,16,18-24,26-32,36-38,40-43H,4-9,11-15H2,1-3H3
0 references
InChIKey
ZTPANAJOTNUCEO-UHFFFAOYSA-N
0 references
PubChem CID
12310220
2 references
based on heuristic
inferred from InChIKey
matched by identifier from
InChIKey
InChIKey
ZTPANAJOTNUCEO-UHFFFAOYSA-N
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