(Q82092298)

English

Withaferin A, dihydro-

chemical compound

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Statements

type of chemical entity

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472.282489 dalton

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based on heuristic

inferred from SMILES

chemical formula

C₂₈H₄₀O₆

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canonical SMILES

O=C1OC(CC(=C1CO)C)C(C)C2CCC3C4CC5OC65C(O)CCC(=O)C6(C)C4CCC23C

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Identifiers

InChI=1S/C28H40O6/c1-14-11-21(33-25(32)17(14)13-29)15(2)18-5-6-19-16-12-24-28(34-24)23(31)8-7-22(30)27(28,4)20(16)9-10-26(18,19)3/h15-16,18-21,23-24,29,31H,5-13H2,1-4H3

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YRXCLNDPESBJHL-UHFFFAOYSA-N

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CAS Registry Number

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26 December 2021

UniChem compound ID

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DSSTox substance ID

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DSSTOX compound identifier

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