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Substance Name: Cimigenol triacetate
RN: 59274-35-0
UNII: 8SM78W98U8
InChIKey: YWZMQFMLUXBFHH-HRSZHCCYSA-N

Molecular Formula

  • C36-H54-O8

Molecular Weight

  • 614.8146
 
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Names and Synonyms

Name of Substance

  • Cimigenol triacetate

Synonyms

  • 2-((1S,2S,4S,5R)-5-Ethenyl-1-azabicyclo(2.2.2)oct-2-yl)-1H-indole-3-ethanol triacetate
  • 9,19-Cyclolanostane-3,15,25-triol, 16,23:16,24-diepoxy-, triacetate, (3beta,15alpha,16alpha,23R,24S)-
  • Cimigenol triacetate
  • Cimigenol triacetate [MI]
  • UNII-8SM78W98U8

Registry Numbers

CAS Registry Number

  • 59274-35-0

FDA UNII

  • 8SM78W98U8

System Generated Number

  • 0059274350

Structure Descriptors

InChI

1S/C36H54O8/c1-19-17-23-28(31(7,8)42-22(4)39)44-36(43-23)27(19)32(9)15-16-35-18-34(35)14-13-26(40-20(2)37)30(5,6)24(34)11-12-25(35)33(32,10)29(36)41-21(3)38/h19,23-29H,11-18H2,1-10H3/t19-,23-,24+,25+,26+,27-,28+,29-,32-,33-,34-,35+,36+/m1/s1

InChIKey

YWZMQFMLUXBFHH-HRSZHCCYSA-N

Smiles

C[C@@H]1C[C@@H]2[C@H](O[C@]3([C@H]1[C@]4(CC[C@@]56C[C@@]57CC[C@@H](C([C@@H]7CC[C@H]6[C@@]4([C@H]3OC(=O)C)C)(C)C)OC(=O)C)C)O2)C(C)(C)OC(=O)C