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Substance Name: Withaferin A diacetate
RN: 22848-79-9
InChIKey: KKWMXUXYPBDQQX-GCFZBUCOSA-N

Molecular Formula

  • C32-H42-O8

Molecular Weight

  • 554.676
 
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Names and Synonyms

Results Name

  • Withaferin A diacetate

Synonyms

  • NSC 328416
  • Withaferin A diacetate

Systematic Name

  • Ergosta-2,24-dien-26-oic acid, 4,27-bis(acetyloxy)-5,6-epoxy-22-hydroxy-1-oxo-, delta-lactone, (4beta,5beta,6beta,22R)-

Registry Numbers

CAS Registry Number

  • 22848-79-9

System Generated Number

  • 0022848799

Structure Descriptors

InChI

1S/C32H42O8/c1-16-13-25(39-29(36)21(16)15-37-18(3)33)17(2)22-7-8-23-20-14-28-32(40-28)27(38-19(4)34)10-9-26(35)31(32,6)24(20)11-12-30(22,23)5/h9-10,17,20,22-25,27-28H,7-8,11-15H2,1-6H3/t17-,20-,22+,23-,24-,25-,27-,28+,30+,31-,32+/m0/s1

InChIKey

KKWMXUXYPBDQQX-GCFZBUCOSA-N

Smiles

O1[C@@]23[C@@]([C@H]4CC[C@@]5([C@H]([C@@H]4C[C@@H]12)CC[C@@H]5[C@@H]([C@H]1OC(C(COC(=O)C)=C(C1)C)=O)C)C)(C(=O)C=C[C@@H]3OC(=O)C)C