(8R,13S,17R)-13-Ethyl-17-Ethynyl-17-Hydroxy-1,2,4,6,7,8,9,11,12,13,14,15,16,17-Tetradecahydro-3H-Cyclopenta[a]Phenanthren-3-One
[CAS# 19914-67-1]

Identification

• Name: (8R,13S,17R)-13-Ethyl-17-Ethynyl-17-Hydroxy-1,2,4,6,7,8,9,11,12,13,14,15,16,17-Tetradecahydro-3H-Cyclopenta[a]Phenanthren-3-One
• Molecular Formula: C₂₁H₂₈O₂
• Molecular Weight: 312.45
• CAS Registry Number: 19914-67-1
• SMILES: CC[C@]12CCC3[C@H](C1CC[C@]2(C#C)O)CCC4=C3CCC(=O)C4
• InChI: 1S/C21H28O2/c1-3-20-11-9-17-16-8-6-15(22)13-14(16)5-7-18(17)19(20)10-12-21(20,23)4-2/h2,17-19,23H,3,5-13H2,1H3/t17?,18-,19?,20+,21+/m1/s1
• InChIKey: QCMLVDXPKCBMFQ-OCBVQYKSSA-N

Properties

• Density: 1.142g/cm³ (Cal.)
• Boiling point: 453.951°C at 760 mmHg (Cal.)
• Flash point: 193.326°C (Cal.)
• Refractive index: 1.572 (Cal.)