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Substance Name: 7-Hydroxycholesterol-3-stearate
RN: 26108-71-4
InChIKey: TZCPWCWBUUWOBB-LQLPOJMZSA-N

Molecular Formula

  • C45-H80-O3

Molecular Weight

  • 669.124
 
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Names and Synonyms

Name of Substance

  • 7-Hydroxycholesterol-3-stearate

Synonyms

  • 7-HCS
  • 7alpha-Hydroxycholesterol-3beta-stearate

Systematic Name

  • Cholest-5-ene-3,7-diol, 3-octadecanoate, (3beta,7alpha)-

Registry Numbers

CAS Registry Number

  • 26108-71-4

System Generated Number

  • 0026108714

Structure Descriptors

InChI

1S/C45H80O3/c1-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-25-42(47)48-37-28-30-44(5)36(32-37)33-41(46)43-39-27-26-38(35(4)24-22-23-34(2)3)45(39,6)31-29-40(43)44/h33-35,37-41,43,46H,7-32H2,1-6H3/t35-,37+,38-,39+,40+,41-,43+,44+,45-/m1/s1

InChIKey

TZCPWCWBUUWOBB-LQLPOJMZSA-N

Smiles

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