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Substance Name: Anhydroscymnol
RN: 567-68-0
InChIKey: PRQADQZRIHRYCH-OOQSZNCVSA-N

Molecular Formula

  • C27-H46-O5

Molecular Weight

  • 450.6554
 
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Names and Synonyms

Name of Substance

  • Anhydroscymnol

Synonym

  • 24,26-Epoxy-5beta-cholestane-3alpha,7alpha,12alpha,27-tetrol

Systematic Name

  • Cholestane-3,7,12,26-tetrol, 24,27-epoxy-, (3alpha,5beta,7alpha,12alpha,24R)-

Registry Numbers

CAS Registry Number

  • 567-68-0

System Generated Number

  • 0000567680

Structure Descriptors

InChI

1S/C27H46O5/c1-15(4-7-23-16(13-28)14-32-23)19-5-6-20-25-21(12-24(31)27(19,20)3)26(2)9-8-18(29)10-17(26)11-22(25)30/h15-25,28-31H,4-14H2,1-3H3/t15-,16?,17+,18-,19-,20+,21+,22-,23-,24+,25+,26+,27-/m1/s1

InChIKey

PRQADQZRIHRYCH-OOQSZNCVSA-N

Smiles

C[C@H](CC[C@@H]1C(CO1)CO)[C@H]2CC[C@@H]3[C@@]2([C@H](C[C@H]4[C@H]3[C@@H](C[C@H]5[C@@]4(CC[C@H](C5)O)C)O)O)C