3-Hydroxypregn-5-en-20-one | CAS No. 145-13-1

3-Hydroxypregn-5-en-20-one

Basic Information

CAS Number

145-13-1

Molecular Formula

C21H32O2

Molecular Weight

316.49 g/mol

AD

Basic Physical Properties

Physical State

Powder

Melting Point

187.0 to 192.0 deg-C

Boiling Point

443.3℃ at 760 mmHg

Solubility

ethanol: soluble10mg/mL, clear, colorless to faintly yellow

Refractive Index

1.5344 (estimate)

Specific Rotation

28.5 º (c=1, EtOH)

CC(=O)C1CCC2C1(CCC3C2CC=C4C3(CCC(C4)O)C)C

InChI

InChI=1S/C21H32O2/c1-13(22)17-6-7-18-16-5-4-14-12-15(23)8-10-20(14,2)19(16)9-11-21(17,18)3/h4,15-19,23H,5-12H2,1-3H3/t15?,16-,17+,18-,19-,20-,21+/m0/s1

InChIKey

ORNBQBCIOKFOEO-OZIWPBGVSA-N

LogP

4.515300000000004

Topological Polar Surface Area

37.3 Ų

Hydrogen Bond Donor/Acceptor

1 / 2

Complexity

550

Safety Information

View Safety Information

Hazard Statement

H225 Highly Flammable liquid and vapor
Flammable liquids
H319 Causes serious eye irritation
Serious eye damage/eye irritation

Storage Conditions

2-8℃

Synonyms & References

English

  • Tox21_112011_1
  • PREGNENOLONE [VANDF]
  • DB02789
  • CHEBI:16581
  • 145-13-1
  • PREGN-5-EN-20-ONE, 3-(3-CARBOXY-, (3.BETA.)-
  • delta5-Pregnen-3beta-ol-20-one
  • 3beta-Hydroxypregn-5-en-20-one
  • LMST02030088
  • Pregn-5-en-20-one, 3-hydroxy-, (3.beta.)-
  • Z2235801892
  • Pregnenolonum
  • 3beta-Hydroxy-5-pregnene-20-one
  • 0F6367C4-E1FA-4AEC-9846-7BCC5ADA3417
  • 1-[(3-hydroxy-10,13-dimethyl-2,3,4,7,8,9,10,11,12,13,14,15,16, 17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl)]ethanone
  • NSC-18158
  • Tox21_112011
  • AC-12806
  • 3-Hydroxypregn-5-en-20-one, (3.beta.)-
  • Pregnenolone 0.1 mg/ml in Acetonitrile
  • Prestwick1_000546
  • Pregn-5-en-3b-ol-20-one
  • NCGC00163125-06
  • Q412158
  • PREGNENOLONE [INN]
  • 3beta-hydroxypregn-5-ene-20-one
  • Natolone
  • SR-05000002128-5
  • Pregnetan
  • Prenolon
  • Pregnenolona [INN-Spanish]

MDL Number

MFCD00066634

Customs Code

2937290090

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