16-Methyl-3,17-Dihydroxy-5alpha-Pregnane-20-One-3-Acetate
[CAS# 16980-67-9]

Identification

• Name: 16-Methyl-3,17-Dihydroxy-5alpha-Pregnane-20-One-3-Acetate
• Synonyms: Acetic Acid [(3S,5S,8R,9S,10S,13S,14S,16R,17R)-17-Acetyl-17-Hydroxy-10,13,16-Trimethyl-1,2,3,4,5,6,7,8,9,11,12,14,15,16-Tetradecahydrocyclopenta[A]Phenanthren-3-Yl] Ester; [(3S,5S,8R,9S,10S,13S,14S,16R,17R)-17-Ethanoyl-17-Hydroxy-10,13,16-Trimethyl-1,2,3,4,5,6,7,8,9,11,12,14,15,16-Tetradecahydrocyclopenta[A]Phenanthren-3-Yl] Ethanoate; 16-Mdpoa
• Molecular Formula: C₂₄H₃₈O₄
• Molecular Weight: 390.56
• CAS Registry Number: 16980-67-9
• SMILES: [C@@H]1(CC[C@]3([C@H](C1)CC[C@H]4[C@@H]2C[C@H]([C@](C(C)=O)([C@@]2(C)CC[C@H]34)O)C)C)OC(=O)C
• InChI: 1S/C24H38O4/c1-14-12-21-19-7-6-17-13-18(28-16(3)26)8-10-22(17,4)20(19)9-11-23(21,5)24(14,27)15(2)25/h14,17-21,27H,6-13H2,1-5H3/t14-,17+,18+,19-,20+,21+,22+,23+,24+/m1/s1
• InChIKey: GULJKNFZYNULNM-NZINOJMGSA-N

Properties

• Density: 1.118g/cm³ (Cal.)
• Boiling point: 482.421°C at 760 mmHg (Cal.)
• Flash point: 155.297°C (Cal.)