(17R)-17-Acetyl-6-Chloro-17-Hydroxy-13-Methyl-1,2,8,9,10,11,12,14,15,16-Decahydrocyclopenta[a]Phenanthren-3-One
[CAS# 30781-27-2]

Identification

• Name: (17R)-17-Acetyl-6-Chloro-17-Hydroxy-13-Methyl-1,2,8,9,10,11,12,14,15,16-Decahydrocyclopenta[a]Phenanthren-3-One
• Synonyms: (17R)-6-Chloro-17-Ethanoyl-17-Hydroxy-13-Methyl-1,2,8,9,10,11,12,14,15,16-Decahydrocyclopenta[A]Phenanthren-3-One; 19-Norpregna-4,6-Diene-3,20-Dione, 6-Chloro-17-Hydroxy-; 6-Chlor-17-Hydroxy-19-Nor-4,6-Pregnadien-3,20-Dion
• Molecular Formula: C₂₀H₂₅ClO₃
• Molecular Weight: 348.87
• CAS Registry Number: 30781-27-2
• SMILES: [C@@]4(O)(C3(C(C2C(C1C(=CC(=O)CC1)C(=C2)Cl)CC3)CC4)C)C(=O)C
• InChI: 1S/C20H25ClO3/c1-11(22)20(24)8-6-17-15-10-18(21)16-9-12(23)3-4-13(16)14(15)5-7-19(17,20)2/h9-10,13-15,17,24H,3-8H2,1-2H3/t13?,14?,15?,17?,19?,20-/m0/s1
• InChIKey: ANJGIFXUFSBZPX-SZPXBEQZSA-N

Properties

• Density: 1.27g/cm³ (Cal.)
• Boiling point: 509.473°C at 760 mmHg (Cal.)
• Flash point: 261.92°C (Cal.)

References

• (1): Zhao YH, Abraham MH, Le J, Hersey A, Luscombe CN, Beck G, Sherborne B, and Cooper I. Rate-limited Steps of Human Oral Absorption and QSAR Studies, Pharm Res., 2002, 19(10), 1446-57