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(Q105026422)
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English
2-[1-(4-Hydroxy-10,13-dimethyl-1-oxo-4,7,8,9,11,12,14,15-octahydrocyclopenta[a]phenanthren-17-yl)ethyl]-5-(hydroxymethyl)-4-methyl-2,3-dihydropyran-6-one
group of stereoisomers with the chemical formula C₂₈H₃₆O₅
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Statements
instance of
group of stereoisomers
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subclass of
Withanolides
1 reference
inferred from
Withanolides
mass
452.25627425199986
dalton
1 reference
based on heuristic
inferred from InChI
chemical formula
C₂₈H₃₆O₅
0 references
canonical SMILES
O=C1OC(CC(=C1CO)C)C(C2=CCC3C4CC=C5C(O)C=CC(=O)C5(C)C4CCC23C)C
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Identifiers
InChI
InChI=1S/C28H36O5/c1-15-13-24(33-26(32)18(15)14-29)16(2)19-7-8-20-17-5-6-22-23(30)9-10-25(31)28(22,4)21(17)11-12-27(19,20)3/h6-7,9-10,16-17,20-21,23-24,29-30H,5,8,11-14H2,1-4H3
0 references
InChIKey
HDLZLRVXLIHVJS-UHFFFAOYSA-N
0 references
PubChem CID
75244643
2 references
based on heuristic
inferred from InChIKey
matched by identifier from
InChIKey
InChIKey
HDLZLRVXLIHVJS-UHFFFAOYSA-N
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