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Substance Name: 6beta-Hydroperoxycholest-4-en-3-one
RN: 2207-76-3
UNII: HY6J4Y6GE6
InChIKey: CVJNCIPPOLWWCO-ZAAZJSNSSA-N

Classification Code

  • Tumor Data

Molecular Formula

  • C27-H44-O3

Molecular Weight

  • 416.642
 
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Names and Synonyms

Name of Substance

  • 6beta-Hydroperoxycholest-4-en-3-one

Synonyms

  • 6-beta-Hydroperoxy-delta(sup 4)-cholesten-3-one
  • 6-Hydroperoxy-4-cholesten-3-one
  • UNII-HY6J4Y6GE6

Systematic Name

  • Cholest-4-en-3-one, 6-beta-hydroperoxy-

Registry Numbers

CAS Registry Number

  • 2207-76-3

FDA UNII

  • HY6J4Y6GE6

System Generated Number

  • 0002207763

Structure Descriptors

InChI

1S/C27H44O3/c1-17(2)7-6-8-18(3)21-9-10-22-20-16-25(30-29)24-15-19(28)11-13-27(24,5)23(20)12-14-26(21,22)4/h15,17-18,20-23,25,29H,6-14,16H2,1-5H3/t18-,20+,21-,22+,23+,25-,26-,27-/m1/s1

InChIKey

CVJNCIPPOLWWCO-ZAAZJSNSSA-N

Smiles

C=12[C@H](OO)C[C@H]3[C@@H]4CC[C@@H]([C@@]4(C)CC[C@H]3[C@@]2(CCC(=O)C1)C)[C@@H](CCCC(C)C)C