(3S,8S,9S,10R,13S,14S,17S)-17-[(2R)-2-Hydroxy-3-octyn-2-yl]-10,13-dimethyl-2,3,4,7,8,9,10,11,12,13,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-3-ol
[CAS# 86532-88-9]

Identification

• Name: (3S,8S,9S,10R,13S,14S,17S)-17-[(2R)-2-Hydroxy-3-octyn-2-yl]-10,13-dimethyl-2,3,4,7,8,9,10,11,12,13,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-3-ol
• Synonyms: 20-(1-hexynyl)-5-pregnen-3,20-diol; 20-Hyp-diol
• Molecular Formula: C₂₇H₄₂O₂
• Molecular Weight: 398.62
• CAS Registry Number: 86532-88-9
• SMILES: C(#C[C@@](O)(C)[C@H]2CC[C@H]1[C@H]3[C@H](CC[C@@]12C)[C@@]4(C(=C/C3)\C[C@@H](O)CC4)C)CCCC
• InChI: 1S/C27H42O2/c1-5-6-7-8-15-27(4,29)24-12-11-22-21-10-9-19-18-20(28)13-16-25(19,2)23(21)14-17-26(22,24)3/h9,20-24,28-29H,5-7,10-14,16-18H2,1-4H3/t20-,21-,22-,23-,24-,25-,26-,27-/m0/s1
• InChIKey: QJRTUVMLFBAMGN-APGJSSKUSA-N

Properties

• Density: 1.074g/cm³ (Cal.)
• Boiling point: 530.849°C at 760 mmHg (Cal.)
• Flash point: 224.846°C (Cal.)