17-Hydroxy-16beta-Methyl-5beta-Pregn-9(11)-Ene-3,20-Dione
[CAS# 13656-78-5]

Identification

• Name: 17-Hydroxy-16beta-Methyl-5beta-Pregn-9(11)-Ene-3,20-Dione
• Synonyms: (5R,8S,10S,13S,14S,16S,17R)-17-Ethanoyl-17-Hydroxy-10,13,16-Trimethyl-2,4,5,6,7,8,12,14,15,16-Decahydro-1H-Cyclopenta[A]Phenanthren-3-One; 17-Hydroxy-16Beta-Methyl-5Beta-Pregn-9(11)-Ene-3,20-Dione
• Molecular Formula: C₂₂H₃₂O₃
• Molecular Weight: 344.49
• CAS Registry Number: 13656-78-5
• EINECS: 237-141-4
• SMILES: [C@H]12[C@@]([C@](O)([C@H](C1)C)C(=O)C)(CC=C3[C@H]2CC[C@H]4[C@@]3(CCC(=O)C4)C)C
• InChI: 1S/C22H32O3/c1-13-11-19-17-6-5-15-12-16(24)7-9-20(15,3)18(17)8-10-21(19,4)22(13,25)14(2)23/h8,13,15,17,19,25H,5-7,9-12H2,1-4H3/t13-,15+,17+,19-,20-,21-,22-/m0/s1
• InChIKey: SYVXMCCIFBTGFR-RJZNOWKXSA-N

Properties

• Density: 1.137g/cm³ (Cal.)
• Boiling point: 480.823°C at 760 mmHg (Cal.)
• Flash point: 258.701°C (Cal.)