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Substance Name: 29-Methylidene-2,3-oxidosqualene
RN: 145919-42-2
InChIKey: DOTTUEYUTNVWMJ-KSTFQPQISA-N

Note

  • An irreversible inactivator of lanosterol cyclase.

Molecular Formula

  • C31-H50-O

Molecular Weight

  • 438.735
 
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Names and Synonyms

Name of Substance

  • 29-Methylidene-2,3-oxidosqualene

Synonyms

  • (3H)29-Mos
  • 29-Mos

Systematic Name

  • Oxirane, 3-(16-ethenyl-3,7,12,20-tetramethyl-3,7,11,15,19-heneicosapentaenyl)-2,2-dimethyl-, (S-(all-E))-

Registry Numbers

CAS Registry Number

  • 145919-42-2

System Generated Number

  • 0145919422

Structure Descriptors

InChI

1S/C31H50O/c1-8-10-11-22-29(16-9-2)23-15-21-27(4)18-13-12-17-26(3)19-14-20-28(5)24-25-30-31(6,7)32-30/h8-10,17-18,20,23,30H,2,11-16,19,21-22,24-25H2,1,3-7H3/b10-8-,26-17+,27-18+,28-20+,29-23-

InChIKey

DOTTUEYUTNVWMJ-KSTFQPQISA-N

Smiles

C(=C/C)\CCC(\CC=C)=C\CC\C(=C\CC\C=C(\CC\C=C(\CC[C@@H]1C(O1)(C)C)C)C)C