(3S,5R,7R,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-3,7,17-Triol
[CAS# 137767-50-1]

Identification

• Name: (3S,5R,7R,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-3,7,17-Triol
• Synonyms: 5Alpha-Pregnane-3Beta,7Alpha,17,20Beta-Tetrol; Pregnane-3,7,17,20-Tetrol; Pregnane-3,7,17,20-Tetrol, (3Beta,5Alpha,7Alpha,20R)-
• Molecular Formula: C₂₁H₃₆O₄
• Molecular Weight: 352.51
• CAS Registry Number: 137767-50-1
• SMILES: [C@@H]1(CC[C@]2([C@H](C1)C[C@H]([C@@H]3[C@@H]2CC[C@]4([C@H]3CC[C@@]4([C@@H](C)O)O)C)O)C)O
• InChI: 1S/C21H36O4/c1-12(22)21(25)9-6-16-18-15(5-8-20(16,21)3)19(2)7-4-14(23)10-13(19)11-17(18)24/h12-18,22-25H,4-11H2,1-3H3/t12-,13-,14+,15+,16+,17-,18-,19+,20+,21+/m1/s1
• InChIKey: QOZQGNJODHSBJX-ZFOKFBPFSA-N

Properties

• Density: 1.188g/cm³ (Cal.)
• Boiling point: 508.655°C at 760 mmHg (Cal.)
• Flash point: 227.472°C (Cal.)