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Substance Name: Cholestane-3,7,25,26-tetrol
RN: 67476-60-2
InChIKey: QGFLDSRGMOKMKF-XSQSGALCSA-N

Note

  • From human gallbladder bile.

Molecular Formula

  • C27-H48-O4

Molecular Weight

  • 436.6722
 
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Names and Synonyms

Name of Substance

  • Cholestane-3,7,25,26-tetrol

Synonym

  • 5beta-Cholestane-3alpha,7alpha,25,26-tetrol

Systematic Name

  • Cholestane-3,7,15,16-tetrol, (3alpha,5beta,7alpha)-

Registry Numbers

CAS Registry Number

  • 67476-60-2

System Generated Number

  • 0067476602

Structure Descriptors

InChI

1S/C27H48O4/c1-17(6-5-11-25(2,31)16-28)20-7-8-21-24-22(10-13-27(20,21)4)26(3)12-9-19(29)14-18(26)15-23(24)30/h17-24,28-31H,5-16H2,1-4H3/t17-,18+,19-,20-,21+,22+,23-,24+,25?,26+,27-/m1/s1

InChIKey

QGFLDSRGMOKMKF-XSQSGALCSA-N

Smiles

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