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Substance Name: Ponasterone A
RN: 13408-56-5
UNII: 84986BG3NG
InChIKey: PJYYBCXMCWDUAZ-JJJZTNILSA-N

Molecular Formula

  • C27-H44-O6

Molecular Weight

  • 464.639
 
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Names and Synonyms

Name of Substance

  • Ponasterone A

Synonyms

  • 25-Deoxycedysterone
  • 2beta,3beta,14,20,22-Pentahydroxy-5beta-cholest-7-en-6-one
  • AI3-44686
  • UNII-84986BG3NG

Systematic Name

  • Cholest-7-en-6-one, 2,3,14,20,22-pentahydroxy-, (2beta,3beta,5beta,22R)-

Registry Numbers

CAS Registry Number

  • 13408-56-5

FDA UNII

  • 84986BG3NG

System Generated Number

  • 0013408565

Structure Descriptors

InChI

1S/C27H44O6/c1-15(2)6-7-23(31)26(5,32)22-9-11-27(33)17-12-19(28)18-13-20(29)21(30)14-24(18,3)16(17)8-10-25(22,27)4/h12,15-16,18,20-23,29-33H,6-11,13-14H2,1-5H3/t16-,18-,20+,21-,22-,23+,24+,25+,26+,27+/m0/s1

InChIKey

PJYYBCXMCWDUAZ-JJJZTNILSA-N

Smiles

C1[C@@H]2[C@](C)(C[C@@H](O)[C@@H]1O)[C@@H]1C(=CC2=O)[C@@]2(CC[C@@H]([C@@]2(C)CC1)[C@@]([C@@H](CCC(C)C)O)(O)C)O