17-Hydroxypregn-4-Ene-3,20-Dione
[CAS# 139517-03-6]

Identification

• Name: 17-Hydroxypregn-4-Ene-3,20-Dione
• Synonyms: (1S,11S,15S,2R,10R,14R)-14-acetyl-14-hydroxy-2,15-dimethyl-5-oxotetracyclo[8.7.0.0<2,7>.0<11,15>]heptadec-6-ene; (8R,9S,10R,13S,14S,17R)-17-Acetyl-17-hydroxy-10,13-dimethyl-1,2,6,7,8,9,10,11,12,13,14,15,16,17-tetradecahydro-cyclopenta[a]phenanthren-3-one; (8R,9S,10R,13S,14S,17R)-17-acetyl-17-hydroxy-10,13-dimethyl-2,6,7,8,9,11,12,14,15,16-decahydro-1H-cyclopenta[a]phenanthren-3-one
• Molecular Formula: C₂₁H₃₀O₃
• Molecular Weight: 330.46
• CAS Registry Number: 139517-03-6
• SMILES: CC(=O)[C@]1(CC[C@@H]2[C@@]1(CC[C@H]3[C@H]2CCC4=CC(=O)CC[C@]34C)C)O
• InChI: 1S/C21H30O3/c1-13(22)21(24)11-8-18-16-5-4-14-12-15(23)6-9-19(14,2)17(16)7-10-20(18,21)3/h12,16-18,24H,4-11H2,1-3H3/t16-,17+,18+,19+,20+,21+/m1/s1
• InChIKey: DBPWSSGDRRHUNT-CEGNMAFCSA-N

Properties

• Density: 1.2±0.1g/cm³ (Cal.)
• Boiling point: 482.9±45.0°C at 760 mmHg (Cal.)
• Flash point: 260.0±25.2°C (Cal.)
• Refractive index: 1.56 (Cal.)

Safety Data

• Safety Description: IRRITANT