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Substance Name: 11,17,20,21-Tetrahydroxypregn-4-en-3-one, (11beta,20R)-
RN: 116-58-5
UNII: 77U6C4OLOR
InChIKey: AWWCEQOCFFQUKS-LCGKLAOVSA-N

Molecular Formula

  • C21-H32-O5

Molecular Weight

  • 364.4788
 
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Names and Synonyms

Name of Substance

  • 11,17,20,21-Tetrahydroxypregn-4-en-3-one, (11beta,20R)-

Synonyms

  • 11,17,20,21-Tetrahydroxypregn-4-en-3-one, (11beta,20R)-
  • 20beta-Dihydrocortisol
  • 20beta-Hydroxycortisol
  • 4-Pregnene-11beta,17alpha,20beta,21-tetrol-3-one
  • 4-Pregnene-11beta,17alpha,20beta,21-tetrol-3-one [MI]
  • delta4-Pregnene-11beta,17alpha,20beta,21-tetraol-3-one
  • Pregn-4-en-3-one, 11,17,20,21-tetrahydroxy-, (11beta,20R)-
  • Reichstein's compound E
  • Reichstein's substance E
  • UNII-77U6C4OLOR

Registry Numbers

CAS Registry Number

  • 116-58-5

FDA UNII

  • 77U6C4OLOR

System Generated Number

  • 0000116585

Structure Descriptors

InChI

1S/C21H32O5/c1-19-7-5-13(23)9-12(19)3-4-14-15-6-8-21(26,17(25)11-22)20(15,2)10-16(24)18(14)19/h9,14-18,22,24-26H,3-8,10-11H2,1-2H3/t14-,15-,16-,17+,18+,19-,20-,21-/m0/s1

InChIKey

AWWCEQOCFFQUKS-LCGKLAOVSA-N

Smiles

C[C@]12CCC(=O)C=C1CC[C@@H]3[C@@H]2[C@H](C[C@]4([C@H]3CC[C@@]4([C@@H](CO)O)O)C)O

Physical Properties

Physical Property Value Units Temp (deg C) Source
Melting Point 125 dec deg C   EXP
log P (octanol-water) 0.670 (none)   EST
Atmospheric OH Rate Constant 1.48E-10 cm3/molecule-sec 25 EST

Physical property data is provided to ChemIDplus by SRC, Inc.