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Substance Name: 3-O-Methylcholesterol
RN: 1174-92-1
InChIKey: RCXPTZJNVLDKKV-PXBBAZSNSA-N

Note

  • By-product of cholesterol from methanolysis.

Molecular Formula

  • C28-H48-O

Molecular Weight

  • 400.6862
 
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Names and Synonyms

Name of Substance

  • 3-O-Methylcholesterol

Synonyms

  • 3beta-Methoxycholest-5-ene
  • Cholesterin methyl ether
  • Cholesterol methyl ether
  • Cholesteryl methyl ether
  • NSC 95435

Systematic Names

  • Cholest-5-ene, 3-methoxy-, (3beta)- (9CI)
  • Cholest-5-ene, 3beta-methoxy- (8CI)

Registry Numbers

CAS Registry Number

  • 1174-92-1

System Generated Number

  • 0001174921

Structure Descriptors

InChI

1S/C28H48O/c1-19(2)8-7-9-20(3)24-12-13-25-23-11-10-21-18-22(29-6)14-16-27(21,4)26(23)15-17-28(24,25)5/h10,19-20,22-26H,7-9,11-18H2,1-6H3/t20-,22+,23+,24-,25+,26+,27+,28-/m1/s1

InChIKey

RCXPTZJNVLDKKV-PXBBAZSNSA-N

Smiles

CO[C@H]1CC[C@]2(C)[C@H]3CC[C@]4(C)[C@H](CC[C@H]4[C@@H]3CC=C2C1)[C@H](C)CCCC(C)C