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Substance Name: Iodocholesterol
RN: 37414-03-2
UNII: 4A4E6EXB6U
InChIKey: FIOAEFCJGZJUPW-FTLVODPJSA-N

Molecular Formula

  • C27-H45-I-O

Molecular Weight

  • 512.5515
 
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Names and Synonyms

Name of Substance

  • Iodocholesterol

Synonyms

  • 19-Iodocholesterol
  • EINECS 253-499-4
  • UNII-4A4E6EXB6U

Systematic Names

  • 19-Iodocholest-5-en-3beta-ol
  • Cholest-5-en-3-ol, 19-iodo-, (3beta)-

Registry Numbers

CAS Registry Number

  • 37414-03-2

FDA UNII

  • 4A4E6EXB6U

System Generated Number

  • 0037414032

Structure Descriptors

InChI

1S/C27H45IO/c1-18(2)6-5-7-19(3)23-10-11-24-22-9-8-20-16-21(29)12-15-27(20,17-28)25(22)13-14-26(23,24)4/h8,18-19,21-25,29H,5-7,9-17H2,1-4H3/t19-,21+,22+,23-,24+,25+,26-,27-/m1/s1

InChIKey

FIOAEFCJGZJUPW-FTLVODPJSA-N

Smiles

[C@@]12([C@H]([C@H]3[C@@H]([C@@]4(C(=CC3)C[C@H](CC4)O)CI)CC2)CC[C@@H]1[C@@H](CCCC(C)C)C)C