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Substance Name: 3-Ketopetromyzonol sulfate
RN: 435327-06-3
UNII: A06040390W
InChIKey: OAKDBNNISQJEJA-RTYFXBAISA-N

Molecular Formula

  • C24-H40-O7-S

Molecular Weight

  • 472.639
 
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Names and Synonyms

Name of Substance

  • 3-Ketopetromyzonol sulfate

Synonyms

  • 3-Ketopetromyzonol sulfate
  • Cholan-3-one, 7,12-dihydroxy-24-(sulfooxy)-, (5alpha,7alpha,12alpha)-
  • UNII-A06040390W

Registry Numbers

CAS Registry Number

  • 435327-06-3

FDA UNII

  • A06040390W

System Generated Number

  • 0435327063

Structure Descriptors

InChI

1S/C24H40O7S/c1-14(5-4-10-31-32(28,29)30)17-6-7-18-22-19(13-21(27)24(17,18)3)23(2)9-8-16(25)11-15(23)12-20(22)26/h14-15,17-22,26-27H,4-13H2,1-3H3,(H,28,29,30)/t14-,15-,17-,18+,19+,20-,21+,22+,23+,24-/m1/s1

InChIKey

OAKDBNNISQJEJA-RTYFXBAISA-N

Smiles

C[C@H](CCCOS(=O)(=O)O)[C@H]1CC[C@@H]2[C@@]1([C@H](C[C@H]3[C@H]2[C@@H](C[C@@H]4[C@@]3(CCC(=O)C4)C)O)O)C