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(Q105197119)
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English
[3,4,5-trihydroxy-6-[[14-hydroxy-10,13-dimethyl-17-(5-oxo-2H-furan-3-yl)-1,2,3,4,5,6,7,8,9,11,12,15,16,17-tetradecahydrocyclopenta[a]phenanthren-3-yl]oxy]oxan-2-yl]methyl 3-(4-hydroxy-3-methoxyphenyl)prop-2-enoate
group of stereoisomers with the chemical formula C₃₉H₅₂O₁₂
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Statements
instance of
group of stereoisomers
0 references
subclass of
cardanolides
1 reference
inferred from
cardanolides
alkyl caffeate ester
1 reference
inferred from
alkyl caffeate ester
mass
712.3458771040002
dalton
1 reference
based on heuristic
inferred from InChI
chemical formula
C₃₉H₅₂O₁₂
0 references
canonical SMILES
O=C(OCC1OC(OC2CCC3(C)C(CCC4C3CCC5(C)C(C6=CC(=O)OC6)CCC45O)C2)C(O)C(O)C1O)C=CC7=CC=C(O)C(OC)=C7
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Identifiers
InChI
InChI=1S/C39H52O12/c1-37-13-10-24(18-23(37)6-7-27-26(37)11-14-38(2)25(12-15-39(27,38)46)22-17-32(42)48-19-22)50-36-35(45)34(44)33(43)30(51-36)20-49-31(41)9-5-21-4-8-28(40)29(16-21)47-3/h4-5,8-9,16-17,23-27,30,33-36,40,43-46H,6-7,10-15,18-20H2,1-3H3
0 references
InChIKey
OQQLWHSEFACXNN-UHFFFAOYSA-N
0 references
PubChem CID
75074729
1 reference
based on heuristic
inferred from InChIKey
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