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Substance Name: 7-Deacetyl-7-oxogedunin
RN: 13072-74-7
InChIKey: PMISPNORJONCHB-LLWDQIFWSA-N

Molecular Formula

  • C26-H30-O6

Molecular Weight

  • 438.517
 
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Names and Synonyms

Name of Substance

  • 7-Deacetyl-7-oxogedunin

Synonyms

  • 7-Deacetoxy-7-oxogedunin
  • 7-Deacetyl-7-oxogedunin
  • 7-Desacetoxy-7-oxogedunin
  • Desacetoxy-oxo-7-gedunine
  • NSC 309908

Systematic Names

  • 16,17-Seco-24-nor-5alpha,13alpha,14beta,17alpha-chola-1,20,22-trien-16-oic acid, 14,15beta:21,23-diepoxy-17-hydroxy-4,4,8-trimethyl-3,7-dioxo-, delta-lactone (8CI)
  • D-Homo-24-nor-17-oxachola-1,20,22-triene-3,7,16-dione, 14,15:21,23-diepoxy-4,4,8-trimethyl-, (5alpha,13alpha,14beta,15beta,17aalpha)-

Registry Numbers

CAS Registry Number

  • 13072-74-7

System Generated Number

  • 0013072747

Structure Descriptors

InChI

1S/C26H30O6/c1-22(2)16-12-18(28)25(5)15(23(16,3)9-7-17(22)27)6-10-24(4)19(14-8-11-30-13-14)31-21(29)20-26(24,25)32-20/h7-9,11,13,15-16,19-20H,6,10,12H2,1-5H3/t15?,16-,19-,20+,23+,24-,25-,26+/m0/s1

InChIKey

PMISPNORJONCHB-LLWDQIFWSA-N

Smiles

C[C@@]12CCC3[C@]4(C=CC(=O)C([C@@H]4CC(=O)[C@]3([C@@]15[C@H](O5)C(=O)O[C@H]2c6ccoc6)C)(C)C)C