(5R,6S,8S,9S,10R,13S,14S,17S)-17-Acetyl-5,6-Dihydroxy-6,10,13,17-Tetramethyl-2,4,7,8,9,11,12,14,15,16-Decahydro-1H-Cyclopenta[a]Phenanthren-3-One
[CAS# 3577-69-3]

Identification

• Name: (5R,6S,8S,9S,10R,13S,14S,17S)-17-Acetyl-5,6-Dihydroxy-6,10,13,17-Tetramethyl-2,4,7,8,9,11,12,14,15,16-Decahydro-1H-Cyclopenta[a]Phenanthren-3-One
• Synonyms: (5R,6S,8S,9S,10R,13S,14S,17S)-17-Ethanoyl-5,6-Dihydroxy-6,10,13,17-Tetramethyl-2,4,7,8,9,11,12,14,15,16-Decahydro-1H-Cyclopenta[A]Phenanthren-3-One; Pregnane-3,20-Dione, 5,6-Dihydroxy-6,17-Dimethyl-, (5Alpha,6Beta)-
• Molecular Formula: C₂₃H₃₆O₄
• Molecular Weight: 376.54
• CAS Registry Number: 3577-69-3
• SMILES: [C@@]34([C@@]([C@@H]2[C@H]([C@H]1[C@@]([C@](CC1)(C(=O)C)C)(CC2)C)C[C@@]3(O)C)(CCC(C4)=O)C)O
• InChI: 1S/C23H36O4/c1-14(24)19(2)10-7-17-16-13-22(5,26)23(27)12-15(25)6-9-21(23,4)18(16)8-11-20(17,19)3/h16-18,26-27H,6-13H2,1-5H3/t16-,17-,18-,19+,20-,21+,22-,23+/m0/s1
• InChIKey: ITGHCVVFSZJIMB-JZSKPWMVSA-N

Properties

• Density: 1.15g/cm³ (Cal.)
• Boiling point: 486.175°C at 760 mmHg (Cal.)
• Flash point: 261.934°C (Cal.)