(8S,9S,10R,11S,13R,14S,17S)-11-Hydroxy-17-(2-Hydroxyacetyl)-13-(Hydroxymethyl)-2,6,7,8,9,10,11,12,14,15,16,17-Dodecahydro-1H-Cyclopenta[a]Phenanthren-3-One
[CAS# 111594-84-4]

Identification

• Name: (8S,9S,10R,11S,13R,14S,17S)-11-Hydroxy-17-(2-Hydroxyacetyl)-13-(Hydroxymethyl)-2,6,7,8,9,10,11,12,14,15,16,17-Dodecahydro-1H-Cyclopenta[a]Phenanthren-3-One
• Synonyms: (8S,9S,10R,11S,13R,14S,17S)-11-Hydroxy-13-(Hydroxymethyl)-17-(2-Hydroxy-1-Oxoethyl)-2,6,7,8,9,10,11,12,14,15,16,17-Dodecahydro-1H-Cyclopenta[A]Phenanthren-3-One; (8S,9S,10R,11S,13R,14S,17S)-17-Glycoloyl-11-Hydroxy-13-Methylol-2,6,7,8,9,10,11,12,14,15,16,17-Dodecahydro-1H-Cyclopenta[A]Phenanthren-3-One; (8S,9S,10R,11S,13R,14S,17S)-11-Hydroxy-17-(2-Hydroxyethanoyl)-13-(Hydroxymethyl)-2,6,7,8,9,10,11,12,14,15,16,17-Dodecahydro-1H-Cyclopenta[A]Phenanthren-3-One
• Molecular Formula: C₂₀H₂₈O₅
• Molecular Weight: 348.44
• CAS Registry Number: 111594-84-4
• SMILES: [C@@H]23CCC1=CC(CC[C@@H]1[C@H]2[C@H](C[C@]4([C@H]3CC[C@@H]4C(CO)=O)CO)O)=O
• InChI: 1S/C20H28O5/c21-9-18(25)16-6-5-15-14-3-1-11-7-12(23)2-4-13(11)19(14)17(24)8-20(15,16)10-22/h7,13-17,19,21-22,24H,1-6,8-10H2/t13-,14-,15-,16+,17-,19+,20+/m0/s1
• InChIKey: AXKAXPIBUXKNOZ-CRGXURCLSA-N

Properties

• Density: 1.312g/cm³ (Cal.)
• Boiling point: 585.044°C at 760 mmHg (Cal.)
• Flash point: 321.661°C (Cal.)