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Substance Name: Allopregnane-3beta,17alpha,21-triol-11,20-dione 3,21-diacetate
RN: 4986-95-2
UNII: 1EPA6JH2CY
InChIKey: PXQRJZNDFRAFTF-IPRRWUCRSA-N

Molecular Formula

  • C25-H36-O7

Molecular Weight

  • 448.5524
 
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Names and Synonyms

Name of Substance

  • Allopregnane-3beta,17alpha,21-triol-11,20-dione 3,21-diacetate

Synonyms

  • 3beta,21-Diacetoxy-17alpha-hydroxy-5alpha-pregnane-11,20-dione
  • 5alpha-Pregnane-11,20-dione, 3beta,17,21-trihydroxy-, 3,21-diacetate
  • Allopregnane-3beta,17alpha,21-triol-11,20-dione 3,21-diacetate
  • Allopregnane-3beta,17alpha,21-triol-11,20-dione 3,21-diacetate [mi]
  • Pregnane-11,20-dione, 3,21-bis(acetyloxy)-17-hydroxy-, (3beta,5alpha)-
  • UNII-1EPA6JH2CY

Registry Numbers

CAS Registry Number

  • 4986-95-2

FDA UNII

  • 1EPA6JH2CY

System Generated Number

  • 0004986952

Structure Descriptors

InChI

1S/C25H36O7/c1-14(26)31-13-21(29)25(30)10-8-19-18-6-5-16-11-17(32-15(2)27)7-9-23(16,3)22(18)20(28)12-24(19,25)4/h16-19,22,30H,5-13H2,1-4H3/t16-,17-,18-,19-,22+,23-,24-,25-/m0/s1

InChIKey

PXQRJZNDFRAFTF-IPRRWUCRSA-N

Smiles

CC(=O)OCC(=O)[C@]1(CC[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)O