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Substance Name: Cimigenol
RN: 3779-59-7
UNII: SN559V4Y83
InChIKey: CNBHUROFMYCHGI-IEUUZZHOSA-N

Molecular Formula

  • C30-H48-O5

Molecular Weight

  • 488.7042
 
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Names and Synonyms

Name of Substance

  • Cimigenol

Synonyms

  • (3beta,15alpha,16alpha,23R,24S)-16,23:16,24-Diepoxy-9,19-cyclolanostane-3,15,25-triol
  • 9,19-Cyclolanostane-3,15,25-triol, 16,23:16,24-diepoxy-, (3beta,15alpha,16alpha,23R,24S)-
  • Cimigenol
  • Cimigenol [MI]
  • UNII-SN559V4Y83

Registry Numbers

CAS Registry Number

  • 3779-59-7

FDA UNII

  • SN559V4Y83

System Generated Number

  • 0003779597

Structure Descriptors

InChI

InChI=1S/C30H48O5/c1-16-14-17-22(25(4,5)33)35-30(34-17)21(16)26(6)12-13-29-15-28(29)11-10-20(31)24(2,3)18(28)8-9-19(29)27(26,7)23(30)32/h16-23,31-33H,8-15H2,1-7H3/t16-,17-,18+,19+,20+,21-,22+,23-,26-,27-,28-,29+,30+/m1/s1

InChIKey

CNBHUROFMYCHGI-IEUUZZHOSA-N

Smiles

C[C@@H]1C[C@H]2O[C@@]3(O[C@@H]2C(C)(C)O)[C@H](O)[C@@]4(C)[C@@H]5CC[C@H]6C(C)(C)[C@@H](O)CC[C@@]67C[C@@]57CC[C@]4(C)[C@@H]13