(3S,5S,6S,8S,10S,13S,14S,17S)-17-(1-Hydroxyethyl)-10,13-Dimethyl-2,3,4,5,6,7,8,12,14,15,16,17-Dodecahydro-1H-Cyclopenta[a]Phenanthrene-3,6-Diol
[CAS# 75921-90-3]

Identification

• Name: (3S,5S,6S,8S,10S,13S,14S,17S)-17-(1-Hydroxyethyl)-10,13-Dimethyl-2,3,4,5,6,7,8,12,14,15,16,17-Dodecahydro-1H-Cyclopenta[a]Phenanthrene-3,6-Diol
• Synonyms: Asterogenol; Pregn-9(11)-Ene-3,6,20-Triol, (3Beta,5Alpha,6Alpha,20R)-
• Molecular Formula: C₂₁H₃₄O₃
• Molecular Weight: 334.50
• CAS Registry Number: 75921-90-3
• SMILES: [C@]34(C2=CC[C@@]1([C@@H]([C@H](O)C)CC[C@H]1[C@@H]2C[C@H](O)[C@H]3C[C@H](CC4)O)C)C
• InChI: 1S/C21H34O3/c1-12(22)15-4-5-16-14-11-19(24)18-10-13(23)6-8-21(18,3)17(14)7-9-20(15,16)2/h7,12-16,18-19,22-24H,4-6,8-11H2,1-3H3/t12-,13+,14+,15-,16+,18-,19+,20-,21-/m1/s1
• InChIKey: XCGDFVUIBHDDNK-JMGMBTOPSA-N

Properties

• Density: 1.157g/cm³ (Cal.)
• Boiling point: 485.459°C at 760 mmHg (Cal.)
• Flash point: 217.578°C (Cal.)