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Substance Name: Neotigogenin
RN: 470-01-9
InChIKey: GMBQZIIUCVWOCD-PUHUBZITSA-N

Molecular Formula

  • C27-H44-O3

Molecular Weight

  • 416.6416
 
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Names and Synonyms

Name of Substance

  • Neotigogenin

Synonyms

  • 25beta-Tigogenin
  • NSC 232021

Systematic Name

  • Spirostan-3-ol, (3beta,5alpha,25S)-

Registry Numbers

CAS Registry Number

  • 470-01-9

System Generated Number

  • 0000470019

Structure Descriptors

InChI

1S/C27H44O3/c1-16-7-12-27(29-15-16)17(2)24-23(30-27)14-22-20-6-5-18-13-19(28)8-10-25(18,3)21(20)9-11-26(22,24)4/h16-24,28H,5-15H2,1-4H3/t16-,17-,18-,19-,20+,21-,22-,23-,24-,25-,26-,27+/m0/s1

InChIKey

GMBQZIIUCVWOCD-PUHUBZITSA-N

Smiles

C[C@H]1CC[C@@]2([C@H]([C@H]3[C@@H](O2)C[C@@H]4[C@@]3(CC[C@H]5[C@H]4CC[C@@H]6[C@@]5(CC[C@@H](C6)O)C)C)C)OC1