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Substance Name: 4-Dehydrowithaferin A
RN: 6850-30-2
InChIKey: XGPALHIQWWGRFB-TTWUVOALSA-N

Molecular Formula

  • C28-H36-O6

Molecular Weight

  • 468.586
 
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Names and Synonyms

Name of Substance

  • 4-Dehydrowithaferin A

Synonym

  • 4-DWA

Systematic Name

  • Ergosta-2,24-dien-26-oic acid, 5,6-epoxy-22,27-dihydroxy-1,4-dioxo-, delta-lactone, (5beta,6beta,22R)-

Registry Numbers

CAS Registry Number

  • 6850-30-2

System Generated Number

  • 0006850302

Structure Descriptors

InChI

1S/C28H36O6/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/h7-8,15-16,18-21,24,29H,5-6,9-13H2,1-4H3/t15-,16-,18+,19-,20-,21+,24+,26+,27-,28+/m0/s1

InChIKey

XGPALHIQWWGRFB-TTWUVOALSA-N

Smiles

O1C(C(CO)=C(C[C@@H]1[C@H]([C@H]1CC[C@@H]2[C@]1(C)CC[C@@H]1[C@@]3(C(C=CC([C@]43[C@H](C[C@@H]21)O4)=O)=O)C)C)C)=O