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Substance Name: Cholest-5-en-3-ol (3beta)-, 3-(methyl carbonate)
RN: 15507-52-5
InChIKey: WHMGDIMLSAAHJQ-UHFFFAOYSA-N

Molecular Formula

  • C29-H48-O3

Molecular Weight

  • 444.695
 
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Names and Synonyms

Synonyms

  • 3-06-00-02649 (Beilstein Handbook Reference)
  • BRN 3173082
  • Carbonic acid, cholesteryl methyl ester
  • Cholesterol, methylcarbonate
  • Cholesteryl methyl carbonate
  • Cholesteryl methylcarbonate
  • NSC 93985

Systematic Names

  • Cholest-5-en-3-ol (3beta)-, 3-(methyl carbonate)
  • Cholest-5-en-3-ol (3beta)-, methyl carbonate
  • Cholest-5-en-3-ol(3-beta), methyl carbonate (9CI)
  • Cholesterol, methylcarbonate

Registry Numbers

CAS Registry Number

  • 15507-52-5

System Generated Number

  • 0015507525

Structure Descriptors

InChI

1S/C29H48O3/c1-19(2)8-7-9-20(3)24-12-13-25-23-11-10-21-18-22(32-27(30)31-6)14-16-28(21,4)26(23)15-17-29(24,25)5/h10,19-20,22-26H,7-9,11-18H2,1-6H3

InChIKey

WHMGDIMLSAAHJQ-UHFFFAOYSA-N

Smiles

O=C(OC)O[C@@H]1CC[C@@]2(C(=CC[C@@H]3[C@@H]4[C@@]([C@@H](CC4)[C@@H](CCCC(C)C)C)(CC[C@@H]23)C)C1)C

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intravenous 180mg/kg (180mg/kg)   U.S. Army Armament Research & Development Command, Chemical Systems Laboratory, NIOSH Exchange Chemicals. Vol. NX#03429,