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Substance Name: Cholest-6-en-3-beta-ol, 5-alpha-hydroperoxide
RN: 3328-25-4
InChIKey: CUIXDAUTEMBARD-JYHISOCBSA-N

Classification Codes

  • Mutation Data
  • Tumor Data

Molecular Formula

  • C27-H46-O3

Molecular Weight

  • 418.657
 
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Names and Synonyms

Synonyms

  • 3-beta-Hydroxy-5-alpha-cholest-6-ene-5-hydroperoxide
  • CCRIS 2345
  • Cholesterol-5-alpha-hydroperoxide
  • delta(sup 6)-Cholesten-3-beta-ol-5-alpha-hydroperoxyd
  • delta(sup 6)-Cholesten-3-beta-ol-5-alpha-hydroperoxyd [German]

Systematic Names

  • 3beta-Hydroxy-5alpha-cholest-6-ene-5-hydroperoxide
  • Cholest-6-en-3-beta-ol, 5-alpha-hydroperoxide
  • Hydroperoxide, 3-beta-hydroxy-5-alpha-cholest-6-en-5-yl (6CI,7CI)

Registry Numbers

CAS Registry Number

  • 3328-25-4

System Generated Number

  • 0003328254

Structure Descriptors

InChI

1S/C27H46O3/c1-18(2)7-6-8-19(3)22-9-10-23-21-12-16-27(30-29)17-20(28)11-15-26(27,5)24(21)13-14-25(22,23)4/h12,16,18-24,28-29H,6-11,13-15,17H2,1-5H3/t19-,20+,21+,22-,23+,24+,25-,26-,27?/m1/s1

InChIKey

CUIXDAUTEMBARD-JYHISOCBSA-N

Smiles

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