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Substance Name: 3beta,5alpha,6beta-Trihydroxycholestane
RN: 1253-84-5
UNII: 5XAB8PH90A
InChIKey: YMMFNKXZULYSOQ-RUXQDQFYSA-N

Classification Code

  • Mutation Data

Molecular Formula

  • C27-H48-O3

Molecular Weight

  • 420.673
 
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Names and Synonyms

Name of Substance

  • 3beta,5alpha,6beta-Trihydroxycholestane

Synonyms

  • 3beta,5alpha,6beta-Trihydroxycholestane
  • 3beta-Hydroxycholestane-5alpha,6beta-diol
  • 5-alpha,6-beta-Dihydroxycholestanol
  • 5alpha,6beta-Dihydroxycholestanol
  • AI3-62264
  • CCRIS 2836
  • Cholesta-3beta,5alpha,6beta-triol
  • Cholestane-3beta,5alpha,6beta-triol
  • NSC 124751
  • NSC 18178
  • UNII-5XAB8PH90A

Systematic Names

  • 5-alpha-Cholestane-3-beta,5,6-beta-triol (8CI)
  • 5alpha-Cholestane-3beta,5,6beta-triol (8CI)
  • Cholestane-3,5,6-triol, (3-beta,5-alpha,6-beta)- (9CI)
  • Cholestane-3,5,6-triol, (3beta,5alpha,6beta)- (9CI)
  • Cholestane-3-beta,5-alpha,6-beta-triol
  • Cholestane-3beta,5alpha,6beta-triol

Registry Numbers

CAS Registry Number

  • 1253-84-5

FDA UNII

  • 5XAB8PH90A

System Generated Number

  • 0001253845

Structure Descriptors

InChI

1S/C27H48O3/c1-17(2)7-6-8-18(3)21-9-10-22-20-15-24(29)27(30)16-19(28)11-14-26(27,5)23(20)12-13-25(21,22)4/h17-24,28-30H,6-16H2,1-5H3/t18-,19+,20+,21-,22+,23+,24-,25-,26-,27+/m1/s1

InChIKey

YMMFNKXZULYSOQ-RUXQDQFYSA-N

Smiles

O[C@H]1CC[C@@]2([C@H]3CC[C@@]4([C@H](CC[C@@H]4[C@@H]3C[C@H]([C@@]2(O)C1)O)[C@@H](CCCC(C)C)C)C)C

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intraperitoneal 130mg/kg (130mg/kg) BEHAVIORAL: MUSCLE WEAKNESS

GASTROINTESTINAL: "HYPERMOTILITY, DIARRHEA"
Japanese Journal of Pharmacology. Vol. 17, Pg. 340, 1967.
mouse LDLo oral 2gm/kg (2000mg/kg)   Japanese Journal of Pharmacology. Vol. 17, Pg. 340, 1967.