17,21-Dihydroxypregn-4-ene-3,11,20-trione | CAS No. 53-06-5

17,21-Dihydroxypregn-4-ene-3,11,20-trione

Basic Information

CAS Number

53-06-5

Molecular Formula

C21H28O5

Molecular Weight

360.45 g/mol

AD

Basic Physical Properties

Melting Point

249-251 ºC

Boiling Point

412.46°C (rough estimate)

Refractive Index

210 ° (C=1, EtOH)

Specific Rotation

D25 +209° (c = 1.2 in 95% alcohol); 25546 +269° (c = 0.125 in benzene); 25546 +248° (c = 0.1 to 0.2 in alcohol)

CC12CCC(=O)C=C1CCC3C2C(=O)CC4(C3CCC4(C(=O)CO)O)C

InChI

InChI=1S/C21H28O5/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/h9,14-15,18,22,26H,3-8,10-11H2,1-2H3/t14-,15-,18+,19-,20-,21-/m0/s1

InChIKey

MFYSYFVPBJMHGN-ZPOLXVRWSA-N

LogP

1.9898

Topological Polar Surface Area

91.67 Ų

Hydrogen Bond Donor/Acceptor

2 / 5

Complexity

724

Safety Information

View Safety Information

Hazard Statement

H225 Highly Flammable liquid and vapor
Flammable liquids
H370 Causes damage to organs
Specific target organ toxicity, single exposure

Synonyms & References

English

  • 17,21-Dihydroxy-pregn-4-ene-3,11,20-trione
  • (10R,13S,17R)-17-hydroxy-17-(2-hydroxyacetyl)-10,13-dimethyl-1,2,6,7,8,9,12,14,15,16-decahydrocyclopenta[a]phenanthrene-3,11-dione
  • HY-17461
  • Cortisona
  • Tox21_111539
  • CORTISONE [INN]
  • NCGC00095935-01
  • DB14681
  • W-105776
  • Pregn-4-ene-3,11,20-trione, 17,21-dihydroxy
  • 17.alpha.,11,20-trione
  • HMS2095H08
  • CORTISONE [USP-RS]
  • Cortivite
  • 17.alpha.,21.beta.-Dihydroxypregn-4-ene-3,11,20-trione
  • EINECS 200-162-4
  • MFCD00003610
  • NCGC00023939-03
  • CS-5097
  • S01BA03
  • cortisone
  • MLS002207137
  • Cortisone [INN:BAN]
  • (8S,9S,10R,13S,14S,17R)-17-hydroxy-17-(2-hydroxyacetyl)-10,13-dimethyl-1,2,6,7,8,9,12,14,15,16-decahydrocyclopenta[a]phenanthrene-3,11-dione
  • UQC
  • NCGC00023939-05
  • V27W9254FZ
  • HYDROCORTISONE IMPURITY B [EP IMPURITY]
  • Pregn-4-en-17.alpha.,21-diol-3,11,20-trione
  • C00762
  • Cortisone 0.1 mg/ml in Methanol

MDL Number

MFCD00003610

Customs Code

2937210000

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