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Substance Name: Allopregnane-3beta,21-diol-11,20-dione 3,21-diacetate
RN: 4732-40-5
UNII: J0I88N7J1V
InChIKey: KXMNKLIYGUTTRM-QCTCPQKBSA-N

Molecular Formula

  • C25-H36-O6

Molecular Weight

  • 432.5534
 
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Names and Synonyms

Name of Substance

  • Allopregnane-3beta,21-diol-11,20-dione 3,21-diacetate

Synonyms

  • (+)-Allopregnane-3beta,21-diol-11,20-dione 3,21-diacetate
  • 3beta,21-Diacetoxy-5alpha-pregnane-11,20-dione
  • 5alpha-Pregnane-11,20-dione, 3beta,21-dihydroxy-, diacetate
  • Allopregnane-3beta,21-diol-11,20-dione 3,21-diacetate
  • Allopregnane-3beta,21-diol-11,20-dione 3,21-diacetate [MI]
  • Pregnane-11,20-dione, 3,21-bis(acetyloxy)-, (3beta,5alpha)-
  • UNII-J0I88N7J1V

Registry Numbers

CAS Registry Number

  • 4732-40-5

FDA UNII

  • J0I88N7J1V

System Generated Number

  • 0004732405

Structure Descriptors

InChI

1S/C25H36O6/c1-14(26)30-13-22(29)20-8-7-19-18-6-5-16-11-17(31-15(2)27)9-10-24(16,3)23(18)21(28)12-25(19,20)4/h16-20,23H,5-13H2,1-4H3/t16-,17-,18-,19-,20+,23+,24-,25-/m0/s1

InChIKey

KXMNKLIYGUTTRM-QCTCPQKBSA-N

Smiles

CC(=O)OCC(=O)[C@H]1CC[C@@H]2[C@@]1(CC(=O)[C@H]3[C@H]2CC[C@@H]4[C@@]3(CC[C@@H](C4)OC(=O)C)C)C