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Substance Name: Cimicfugenol
RN: 28282-48-6
InChIKey: QQEBZBZJWRBJTK-LWMHBJGISA-N

Molecular Formula

  • C30-H48-O

Molecular Weight

  • 424.7082
 
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Names and Synonyms

Results Name

  • Cimicfugenol

Synonyms

  • 9,19-Cyclolanosta-7,24-dien-3-ol, (3beta)-
  • Cimicfugenol
  • Cycloarta-16,24-dien-3beta-ol

Systematic Name

  • (3S,5R,9S,10R,13R,14S)-17-((R)-1,5-Dimethyl-hex-4-enyl)-4,4,13,14-tetramethyl-2,3,4,5,6,7,8,11,12,13,14,15-dodecahydro-1H-cyclopropa(9,10)cyclopenta(a)phenanthren-3-ol

Registry Numbers

CAS Registry Number

  • 28282-48-6

Other Registry Number

  • 246545-80-2

System Generated Number

  • 0028282486

Structure Descriptors

InChI

1S/C30H48O/c1-20(2)9-8-10-21(3)22-13-15-28(7)24-12-11-23-26(4,5)25(31)14-16-29(23)19-30(24,29)18-17-27(22,28)6/h9,13,21,23-25,31H,8,10-12,14-19H2,1-7H3/t21-,23+,24+,25+,27-,28+,29-,30+/m1/s1

InChIKey

QQEBZBZJWRBJTK-LWMHBJGISA-N

Smiles

C[C@H](CCC=C(C)C)C1=CC[C@@]2(C)[C@@H]3CC[C@H]4C(C)(C)[C@@H](O)CC[C@@]45C[C@@]35CC[C@]12C