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Substance Name: Withanolide D
RN: 30655-48-2
InChIKey: SASUFNRGCZMRFD-JCUIILOWSA-N

Molecular Formula

  • C28-H38-O6

Molecular Weight

  • 470.602
 
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Names and Synonyms

Name of Substance

  • Withanolide D

Synonyms

  • 5,6-Epoxy-4,20,22-trihydroxy-1-oxoergosta-2,24-dien-26-oic acid delta-lactone
  • NSC 179841

Systematic Name

  • (4beta,5beta,6beta,22R)-5,6-Epoxy-4,20,22-trihydroxy-1-oxoergosta-2,24-dien-26-oic acid, delta-lactone

Registry Numbers

CAS Registry Number

  • 30655-48-2

System Generated Number

  • 0030655482

Structure Descriptors

InChI

1S/C28H38O6/c1-14-12-22(33-24(31)15(14)2)27(5,32)19-7-6-17-16-13-23-28(34-23)21(30)9-8-20(29)26(28,4)18(16)10-11-25(17,19)3/h8-9,16-19,21-23,30,32H,6-7,10-13H2,1-5H3/t16-,17-,18-,19-,21-,22+,23+,25-,26-,27+,28+/m0/s1

InChIKey

SASUFNRGCZMRFD-JCUIILOWSA-N

Smiles

O1[C@@H]([C@@]([C@H]2CC[C@@H]3[C@@]2(CC[C@@H]2[C@@]4(C(C=C[C@@H]([C@]54[C@H](C[C@@H]32)O5)O)=O)C)C)(C)O)CC(=C(C1=O)C)C