(8S,9S,10R,11S,13R,14S,17S)-11-Hydroxy-17-(2-Hydroxyacetyl)-3-Oxo-2,6,7,8,9,10,11,12,14,15,16,17-Dodecahydro-1H-Cyclopenta[a]Phenanthrene-13-Carbaldehyde
[CAS# 76025-75-7]

Identification

• Name: (8S,9S,10R,11S,13R,14S,17S)-11-Hydroxy-17-(2-Hydroxyacetyl)-3-Oxo-2,6,7,8,9,10,11,12,14,15,16,17-Dodecahydro-1H-Cyclopenta[a]Phenanthrene-13-Carbaldehyde
• Synonyms: (8S,9S,10R,11S,13R,14S,17S)-11-Hydroxy-17-(2-Hydroxy-1-Oxoethyl)-3-Oxo-2,6,7,8,9,10,11,12,14,15,16,17-Dodecahydro-1H-Cyclopenta[A]Phenanthrene-13-Carboxaldehyde; (8S,9S,10R,11S,13R,14S,17S)-17-Glycoloyl-11-Hydroxy-3-Keto-2,6,7,8,9,10,11,12,14,15,16,17-Dodecahydro-1H-Cyclopenta[A]Phenanthrene-13-Carbaldehyde; (8S,9S,10R,11S,13R,14S,17S)-11-Hydroxy-17-(2-Hydroxyethanoyl)-3-Oxo-2,6,7,8,9,10,11,12,14,15,16,17-Dodecahydro-1H-Cyclopenta[A]Phenanthrene-13-Carbaldehyde
• Molecular Formula: C₂₀H₂₆O₅
• Molecular Weight: 346.42
• CAS Registry Number: 76025-75-7
• SMILES: [C@H]23[C@@H]([C@@H]1C(=CC(=O)CC1)CC2)[C@@H](O)C[C@]4([C@H]3CC[C@@H]4C(=O)CO)C=O
• InChI: 1S/C20H26O5/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/h7,10,13-17,19,21,24H,1-6,8-9H2/t13-,14-,15-,16+,17-,19+,20+/m0/s1
• InChIKey: BIDXSZCVYXAGCG-CRGXURCLSA-N

Properties

• Density: 1.306g/cm³ (Cal.)
• Boiling point: 575.141°C at 760 mmHg (Cal.)
• Flash point: 315.679°C (Cal.)