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Substance Name: Allopregnane-3beta,17alpha,20alpha-triol 3,20-diacetate
RN: 1176-49-4
UNII: HU5FN3P28K
InChIKey: COXXOOWTEWCQRW-PEFWAVJTSA-N

Molecular Formula

  • C25-H40-O5

Molecular Weight

  • 420.586
 
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Names and Synonyms

Name of Substance

  • Allopregnane-3beta,17alpha,20alpha-triol 3,20-diacetate

Synonyms

  • 5alpha-Pregnane-3beta,17,20alpha-triol, 3,20-diacetate
  • Allopregnane-3beta,17alpha,20alpha-triol 3,20-diacetate
  • Allopregnane-3beta,17alpha,20alpha-triol 3,20-diacetate [MI]
  • Pregnane-3,17,20-triol, 3,20-diacetate, (3beta,5alpha,20S)-
  • UNII-HU5FN3P28K

Registry Numbers

CAS Registry Number

  • 1176-49-4

FDA UNII

  • HU5FN3P28K

System Generated Number

  • 0001176494

Structure Descriptors

InChI

1S/C25H40O5/c1-15(29-16(2)26)25(28)13-10-22-20-7-6-18-14-19(30-17(3)27)8-11-23(18,4)21(20)9-12-24(22,25)5/h15,18-22,28H,6-14H2,1-5H3/t15-,18-,19-,20+,21-,22-,23-,24-,25-/m0/s1

InChIKey

COXXOOWTEWCQRW-PEFWAVJTSA-N

Smiles

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