(8R,9S,10S,13S,14S,17R)-17-(1-Hydroxyethyl)-10,13-Dimethyl-1,2,3,4,5,6,7,8,9,11,12,14,15,16-Tetradecahydrocyclopenta[a]Phenanthrene-3,17-Diol
[CAS# 33995-20-9]

Identification

• Name: (8R,9S,10S,13S,14S,17R)-17-(1-Hydroxyethyl)-10,13-Dimethyl-1,2,3,4,5,6,7,8,9,11,12,14,15,16-Tetradecahydrocyclopenta[a]Phenanthrene-3,17-Diol
• Synonyms: Pregnane-3,17,20-Triol; 3,17,20-Trihydroxypregnane; 3,17,20-Trioh-Pregnane
• Molecular Formula: C₂₁H₃₆O₃
• Molecular Weight: 336.51
• CAS Registry Number: 33995-20-9
• SMILES: [C@H]34[C@H]1[C@@H]([C@@]2(C(CC1)CC(O)CC2)C)CC[C@@]3([C@](O)(CC4)C(O)C)C
• InChI: 1S/C21H36O3/c1-13(22)21(24)11-8-18-16-5-4-14-12-15(23)6-9-19(14,2)17(16)7-10-20(18,21)3/h13-18,22-24H,4-12H2,1-3H3/t13?,14?,15?,16-,17+,18+,19+,20+,21+/m1/s1
• InChIKey: SCPADBBISMMJAW-JDIROBOTSA-N

Properties

• Density: 1.123g/cm³ (Cal.)
• Boiling point: 469.9°C at 760 mmHg (Cal.)
• Flash point: 208.194°C (Cal.)