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Substance Name: 5beta-Bufol
RN: 6127-75-9
InChIKey: XZDHXPDYLPEFQI-FIMPYCPFSA-N

Note

  • Isolated from gall bladder of toad; identified in patients with cerebrotendinous xanthomatosis.

Molecular Formula

  • C27-H48-O5

Molecular Weight

  • 452.6712
 
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Names and Synonyms

Name of Substance

  • 5beta-Bufol

Synonyms

  • 5beta-Cholestane-3alpha,7alpha,12alpha,25,26-pentol
  • Cholestane-3,7,12,25,26-pentol

Systematic Name

  • Cholestane-3,7,12,25,26-pentol, (3alpha,5beta,7alpha,12alpha)- (VAN)

Registry Numbers

CAS Registry Number

  • 6127-75-9

System Generated Number

  • 0006127759

Structure Descriptors

InChI

1S/C27H48O5/c1-16(6-5-10-25(2,32)15-28)19-7-8-20-24-21(14-23(31)27(19,20)4)26(3)11-9-18(29)12-17(26)13-22(24)30/h16-24,28-32H,5-15H2,1-4H3/t16-,17+,18-,19-,20+,21+,22-,23+,24+,25?,26+,27-/m1/s1

InChIKey

XZDHXPDYLPEFQI-FIMPYCPFSA-N

Smiles

C[C@H](CCCC(C)(CO)O)[C@H]1CC[C@@H]2[C@@]1([C@H](C[C@H]3[C@H]2[C@@H](C[C@H]4[C@@]3(CC[C@H](C4)O)C)O)O)C