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(Q105226592)
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English
5-Hydroxy-10,14-dimethyl-15-[1-[4-methyl-6-oxo-5-[[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]-2,3-dihydropyran-2-yl]ethyl]-3-oxapentacyclo[9.7.0.02,4.05,10.014,18]octadec-7-en-9-one
group of stereoisomers with the chemical formula C₃₄H₄₈O₁₁
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Statements
instance of
group of stereoisomers
0 references
subclass of
Withanolides
1 reference
inferred from
Withanolides
mass
632.319662356
dalton
1 reference
based on heuristic
inferred from InChI
chemical formula
C₃₄H₄₈O₁₁
0 references
canonical SMILES
O=C1OC(CC(=C1COC2OC(CO)C(O)C(O)C2O)C)C(C)C3CCC4C5C6OC6C7(O)CC=CC(=O)C7(C)C5CCC34C
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Identifiers
InChI
InChI=1S/C34H48O11/c1-15-12-21(43-30(40)17(15)14-42-31-27(39)26(38)25(37)22(13-35)44-31)16(2)18-7-8-19-24-20(9-11-32(18,19)3)33(4)23(36)6-5-10-34(33,41)29-28(24)45-29/h5-6,16,18-22,24-29,31,35,37-39,41H,7-14H2,1-4H3
0 references
InChIKey
QRRJOHYBCSTHDL-UHFFFAOYSA-N
0 references
PubChem CID
163058740
2 references
based on heuristic
inferred from InChIKey
matched by identifier from
InChIKey
InChIKey
QRRJOHYBCSTHDL-UHFFFAOYSA-N
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