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Substance Name: Presqualene alcohol
RN: 31908-49-3
InChIKey: XLTBFLSFXLLDAZ-VVFNRDJMSA-N

Molecular Weight

  • 426.724
 
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Names and Synonyms

Name of Substance

  • Presqualene alcohol

Systematic Name

  • (1R-(1alpha,2beta(E),3beta(E,E)))-2-(4,8-Dimethyl-3,7-nonadienyl)-2-methyl-3-(2,6,10-trimethyl-1,5,9-undecatrienyl)cyclopropanemethanol

Registry Numbers

CAS Registry Number

  • 31908-49-3

System Generated Number

  • 0031908493

Structure Descriptors

InChI

1S/C30H50O/c1-23(2)13-9-15-25(5)17-11-18-27(7)21-28-29(22-31)30(28,8)20-12-19-26(6)16-10-14-24(3)4/h13-14,17,19,21,28-29,31H,9-12,15-16,18,20,22H2,1-8H3/b25-17+,26-19+,27-21+/t28-,29-,30-/m1/s1

InChIKey

XLTBFLSFXLLDAZ-VVFNRDJMSA-N

Smiles

C(O)[C@H]1[C@]([C@@H]1\C=C(\CC\C=C(\CC\C=C(\C)C)C)C)(C)CC\C=C(\CC\C=C(\C)C)C