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Substance Name: 27-Dehydrowithaferin A
RN: 109357-42-8
InChIKey: UZJYJCDYFRLVKM-CKNDUULBSA-N

Molecular Weight

  • 468.586
 
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Names and Synonyms

Name of Substance

  • 27-Dehydrowithaferin A

Synonym

  • 27-Dwa

Systematic Name

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

Registry Numbers

CAS Registry Number

  • 109357-42-8

System Generated Number

  • 0109357428

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/h7-8,13,15-16,18-21,23-24,31H,5-6,9-12H2,1-4H3/t15-,16-,18+,19-,20-,21+,23-,24+,26+,27-,28+/m0/s1

InChIKey

UZJYJCDYFRLVKM-CKNDUULBSA-N

Smiles

C1=C[C@@H]([C@@]23[C@@](C1=O)(C)[C@@H]1[C@@H](C[C@@H]3O2)[C@H]2[C@@](CC1)(C)[C@@H]([C@@H]([C@@H]1OC(C(=C(C1)C)C=O)=O)C)CC2)O