17-Hydroxypregn-4-Ene-3,20-Dione 17-Heptanoate
[CAS# 4596-16-1]

Identification

• Name: 17-Hydroxypregn-4-Ene-3,20-Dione 17-Heptanoate
• Synonyms: Heptanoic Acid [(8R,9S,10R,13S,14S,17R)-17-Acetyl-10,13-Dimethyl-3-Oxo-2,6,7,8,9,11,12,14,15,16-Decahydro-1H-Cyclopenta[A]Phenanthren-17-Yl] Ester; Enanthic Acid [(8R,9S,10R,13S,14S,17R)-17-Acetyl-3-Keto-10,13-Dimethyl-2,6,7,8,9,11,12,14,15,16-Decahydro-1H-Cyclopenta[A]Phenanthren-17-Yl] Ester; [(8R,9S,10R,13S,14S,17R)-17-Ethanoyl-10,13-Dimethyl-3-Oxo-2,6,7,8,9,11,12,14,15,16-Decahydro-1H-Cyclopenta[A]Phenanthren-17-Yl] Heptanoate
• Molecular Formula: C₂₈H₄₂O₄
• Molecular Weight: 442.64
• CAS Registry Number: 4596-16-1
• EINECS: 224-995-8
• SMILES: [C@H]34[C@H]2[C@@H]([C@@]1(C(=CC(=O)CC1)CC2)C)CC[C@@]3([C@](OC(=O)CCCCCC)(CC4)C(=O)C)C
• InChI: 1S/C28H42O4/c1-5-6-7-8-9-25(31)32-28(19(2)29)17-14-24-22-11-10-20-18-21(30)12-15-26(20,3)23(22)13-16-27(24,28)4/h18,22-24H,5-17H2,1-4H3/t22-,23+,24+,26+,27+,28+/m1/s1
• InChIKey: NKJYZYWCGKSMSV-BDPSOKNUSA-N

Properties

• Density: 1.1±0.1g/cm³ (Cal.)
• Boiling point: 547.7±50.0°C at 760 mmHg (Cal.)
• Flash point: 231.4±30.2°C (Cal.)