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Substance Name: 9,11-Epoxycholest-7-ene-3,5,6-triol
RN: 120152-00-3
InChIKey: HJWIFUYWCCWKOA-NNBUKKMOSA-N

Molecular Formula

  • C27-H44-O4

Molecular Weight

  • 432.641
 
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Names and Synonyms

Name of Substance

  • 9,11-Epoxycholest-7-ene-3,5,6-triol

Synonyms

  • 9,11-Ecet
  • 9alpha,11alpha-5alpha-Cholest-7-ene-3beta,5,6beta-triol

Systematic Name

  • Cholest-7-ene-3,5,6-triol, 9,11-epoxy-, (3beta,5alpha,6beta,11alpha)-

Registry Numbers

CAS Registry Number

  • 120152-00-3

System Generated Number

  • 0120152003

Structure Descriptors

InChI

1S/C27H44O4/c1-16(2)7-6-8-17(3)19-9-10-20-21-13-22(29)26(30)14-18(28)11-12-25(26,5)27(21)23(31-27)15-24(19,20)4/h13,16-20,22-23,28-30H,6-12,14-15H2,1-5H3/t17-,18+,19?,20+,22-,23-,24-,25+,26+,27?/m1/s1

InChIKey

HJWIFUYWCCWKOA-NNBUKKMOSA-N

Smiles

C1[C@@H](C[C@@]2([C@@H](C=C3[C@@H]4CC[C@@H]([C@@H](CCCC(C)C)C)[C@@]4(C)C[C@@H]4[C@@]3([C@@]2(C1)C)O4)O)O)O