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Substance Name: Withangulatin A
RN: 120824-03-5
InChIKey: PLPXOWZTDPJPHC-ISIACCJKSA-N

Note

  • A withanolide from Physalis angulata; promotes type II DNA topoisomerase-mediated DNA damage.

Molecular Formula

  • C30-H38-O8

Molecular Weight

  • 526.622
 
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Names and Synonyms

Name of Substance

  • Withangulatin A

Systematic Name

  • Ergosta-2,16,24-trien-26-oic acid, 15-(acetyloxy)-5,6-epoxy-4,14,22-trihydroxy-1-oxo-, delta-lactone, (4beta,5alpha,6beta,15alpha,22R)-

Registry Numbers

CAS Registry Number

  • 120824-03-5

System Generated Number

  • 0120824035

Structure Descriptors

InChI

1S/C30H38O8/c1-14-11-21(37-26(34)15(14)2)16(3)19-12-24(36-17(4)31)29(35)20-13-25-30(38-25)23(33)8-7-22(32)28(30,6)18(20)9-10-27(19,29)5/h7-8,12,16,18,20-21,23-25,33,35H,9-11,13H2,1-6H3/t16-,18-,20+,21+,23-,24-,25+,27+,28-,29-,30+/m0/s1

InChIKey

PLPXOWZTDPJPHC-ISIACCJKSA-N

Smiles

C1=C[C@@H]([C@]23[C@@](C1=O)([C@H]1CC[C@@]4([C@@]([C@@H]1C[C@@H]2O3)([C@H](C=C4[C@@H]([C@@H]1OC(C(=C(C1)C)C)=O)C)OC(=O)C)O)C)C)O