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Substance Name: Cholestane-3,7,12,23-tetrol
RN: 68832-44-0
InChIKey: VGCSSPQIZFVVCH-MYKQRDHBSA-N

Note

  • Excreted by patients with cerebrotendinous xanthomatosis.

Molecular Weight

  • 436.672
 
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Names and Synonyms

Name of Substance

  • Cholestane-3,7,12,23-tetrol

Synonyms

  • 5beta-Cholestane-3,7,12,23-tetrol
  • 5beta-Cholestane-3alpha,7alpha,12alpha,23-tetrol

Systematic Name

  • Cholestane-3,7,12,23-tetrol, (3alpha,5beta,7alpha,12alpha,23R)-

Registry Numbers

CAS Registry Number

  • 68832-44-0

System Generated Number

  • 0068832440

Structure Descriptors

InChI

1S/C27H48O4/c1-15(2)10-19(29)11-16(3)20-6-7-21-25-22(14-24(31)27(20,21)5)26(4)9-8-18(28)12-17(26)13-23(25)30/h15-25,28-31H,6-14H2,1-5H3/t16-,17+,18-,19-,20-,21+,22+,23-,24+,25+,26+,27-/m1/s1

InChIKey

VGCSSPQIZFVVCH-MYKQRDHBSA-N

Smiles

C1[C@H](C[C@H]2C[C@H]([C@H]3[C@@H]4CC[C@@H]([C@@H](C[C@@H](CC(C)C)O)C)[C@@]4(C)[C@H](C[C@H]3[C@@]2(C1)C)O)O)O