(Q110173118)

English

15-[1-[5-[[3,4-Dihydroxy-6-(hydroxymethyl)-5-(3,4,5-trihydroxy-6-methyloxan-2-yl)oxyoxan-2-yl]oxymethyl]-4-methyl-6-oxo-2,3-dihydropyran-2-yl]ethyl]-6-hydroxy-2,16-dimethyl-8-oxapentacyclo[9.7.0.02,7.07,9.012,16]octadec-4-en-3-one

group of stereoisomers with the chemical formula C₄₀H₅₈O₁₅

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instance of

group of stereoisomers

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subclass of

Withanolides

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mass

778.377571156 dalton

1 reference

based on heuristic

inferred from SMILES

chemical formula

C₄₀H₅₈O₁₅

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canonical SMILES

O=C1OC(CC(=C1COC2OC(CO)C(OC3OC(C)C(O)C(O)C3O)C(O)C2O)C)C(C)C4CCC5C6CC7OC87C(O)C=CC(=O)C8(C)C6CCC45C

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found in taxon

Physalis longifolia

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stated in

Cytotoxic withanolide constituents of Physalis longifolia.

Identifiers

InChI

InChI=1S/C40H58O15/c1-16-12-24(17(2)21-6-7-22-19-13-28-40(55-28)27(43)9-8-26(42)39(40,5)23(19)10-11-38(21,22)4)52-35(49)20(16)15-50-36-33(48)31(46)34(25(14-41)53-36)54-37-32(47)30(45)29(44)18(3)51-37/h8-9,17-19,21-25,27-34,36-37,41,43-48H,6-7,10-15H2,1-5H3

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InChIKey

KWSCHTSFNFDQSG-UHFFFAOYSA-N

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2 references

2 January 2023

inferred from InChIKey

matched by identifier from

InChIKey

KWSCHTSFNFDQSG-UHFFFAOYSA-N

1 reference

(Q110173118)

15-[1-[5-[[3,4-Dihydroxy-6-(hydroxymethyl)-5-(3,4,5-trihydroxy-6-methyloxan-2-yl)oxyoxan-2-yl]oxymethyl]-4-methyl-6-oxo-2,3-dihydropyran-2-yl]ethyl]-6-hydroxy-2,16-dimethyl-8-oxapentacyclo[9.7.0.02,7.07,9.012,16]octadec-4-en-3-one

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