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(Q105271190)
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English
15-[1-(4,5-dimethyl-6-oxo-2,3-dihydropyran-2-yl)ethyl]-5-hydroxy-10,14-dimethyl-3-oxapentacyclo[9.7.0.0²,⁴.0⁵,¹⁰.0¹⁴,¹⁸]octadec-7-ene-9,13-dione
group of stereoisomers with the chemical formula C₂₈H₃₆O₆
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Statements
instance of
group of stereoisomers
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subclass of
Withanolides
1 reference
inferred from
Withanolides
mass
468.25118887199983
dalton
1 reference
based on heuristic
inferred from InChI
chemical formula
C₂₈H₃₆O₆
0 references
canonical SMILES
O=C1OC(CC(=C1C)C)C(C)C2CCC3C4C5OC5C6(O)CC=CC(=O)C6(C)C4CC(=O)C23C
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Identifiers
InChI
InChI=1S/C28H36O6/c1-13-11-19(33-25(31)14(13)2)15(3)16-8-9-17-22-18(12-21(30)26(16,17)4)27(5)20(29)7-6-10-28(27,32)24-23(22)34-24/h6-7,15-19,22-24,32H,8-12H2,1-5H3
0 references
InChIKey
UEXBVTCXVKSQTD-UHFFFAOYSA-N
0 references
PubChem CID
12444953
2 references
based on heuristic
inferred from InChIKey
matched by identifier from
InChIKey
InChIKey
UEXBVTCXVKSQTD-UHFFFAOYSA-N
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