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(Q105224239)
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English
2-[1-hydroxy-1-[14-hydroxy-10,13-dimethyl-1-oxo-3-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-3,4,7,8,9,11,12,15,16,17-decahydro-2H-cyclopenta[a]phenanthren-17-yl]ethyl]-5-(hydroxymethyl)-4-methyl-2,3-dihydropyran-6-one
group of stereoisomers with the chemical formula C₃₄H₅₀O₁₂
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Statements
instance of
group of stereoisomers
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subclass of
Withanolides
1 reference
inferred from
Withanolides
mass
650.3302270400001
dalton
1 reference
based on heuristic
inferred from InChI
chemical formula
C₃₄H₅₀O₁₂
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canonical SMILES
O=C1OC(CC(=C1CO)C)C(O)(C)C2CCC3(O)C4CC=C5CC(OC6OC(CO)C(O)C(O)C6O)CC(=O)C5(C)C4CCC23C
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Identifiers
InChI
InChI=1S/C34H50O12/c1-16-11-25(46-29(41)19(16)14-35)33(4,42)23-8-10-34(43)21-6-5-17-12-18(44-30-28(40)27(39)26(38)22(15-36)45-30)13-24(37)32(17,3)20(21)7-9-31(23,34)2/h5,18,20-23,25-28,30,35-36,38-40,42-43H,6-15H2,1-4H3
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InChIKey
QMXYKJHMLYEGKG-UHFFFAOYSA-N
0 references
PubChem CID
85193406
1 reference
based on heuristic
inferred from InChIKey
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