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Substance Name: 3,5,14-Trihydroxycholest-7-en-6-one
RN: 31107-49-0
InChIKey: QBBDFCFQBGMQAR-JGCYWCJJSA-N

Molecular Formula

  • C27-H44-O4

Molecular Weight

  • 432.641
 
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Names and Synonyms

Name of Substance

  • 3,5,14-Trihydroxycholest-7-en-6-one

Synonyms

  • 3beta,5beta,14alpha-Trihydroxy-5beta-cholest-7-en-6-one
  • Triol I

Systematic Name

  • Cholest-7-en-6-one, 3,5,14-trihydroxy-, (3beta,5beta)-

Registry Numbers

CAS Registry Number

  • 31107-49-0

System Generated Number

  • 0031107490

Structure Descriptors

InChI

InChI=1S/C27H44O4/c1-17(2)7-6-8-18(3)20-11-14-26(30)22-15-23(29)27(31)16-19(28)9-12-25(27,5)21(22)10-13-24(20,26)4/h15,17-21,28,30-31H,6-14,16H2,1-5H3/t18-,19+,20-,21+,24-,25-,26?,27-/m1/s1

InChIKey

QBBDFCFQBGMQAR-JGCYWCJJSA-N

Smiles

CC(C)CCC[C@@H](C)[C@H]1CCC2(O)C3=CC(=O)[C@]4(O)C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@]12C