(8S,9S,10S,13S,14S,17S)-17-(2-Hydroxyacetyl)-13-Methyl-3-Oxo-1,2,6,7,8,9,11,12,14,15,16,17-Dodecahydrocyclopenta[a]Phenanthrene-10-Carbaldehyde
[CAS# 75220-37-0]

Identification

• Name: (8S,9S,10S,13S,14S,17S)-17-(2-Hydroxyacetyl)-13-Methyl-3-Oxo-1,2,6,7,8,9,11,12,14,15,16,17-Dodecahydrocyclopenta[a]Phenanthrene-10-Carbaldehyde
• Synonyms: (8S,9S,10S,13S,14S,17S)-17-(2-Hydroxy-1-Oxoethyl)-13-Methyl-3-Oxo-1,2,6,7,8,9,11,12,14,15,16,17-Dodecahydrocyclopenta[A]Phenanthrene-10-Carboxaldehyde; (8S,9S,10S,13S,14S,17S)-17-Glycoloyl-3-Keto-13-Methyl-1,2,6,7,8,9,11,12,14,15,16,17-Dodecahydrocyclopenta[A]Phenanthrene-10-Carbaldehyde; (8S,9S,10S,13S,14S,17S)-17-(2-Hydroxyethanoyl)-13-Methyl-3-Oxo-1,2,6,7,8,9,11,12,14,15,16,17-Dodecahydrocyclopenta[A]Phenanthrene-10-Carbaldehyde
• Molecular Formula: C₂₁H₂₈O₄
• Molecular Weight: 344.45
• CAS Registry Number: 75220-37-0
• SMILES: [C@H]23[C@@H]([C@@]1(C(=CC(=O)CC1)CC2)C=O)CC[C@]4([C@H]3CC[C@@H]4C(=O)CO)C
• InChI: 1S/C21H28O4/c1-20-8-7-17-15(16(20)4-5-18(20)19(25)11-22)3-2-13-10-14(24)6-9-21(13,17)12-23/h10,12,15-18,22H,2-9,11H2,1H3/t15-,16-,17-,18+,20-,21+/m0/s1
• InChIKey: PDNIPWXQYQYCSU-ZOCXKQACSA-N

Properties

• Density: 1.216g/cm³ (Cal.)
• Boiling point: 525.516°C at 760 mmHg (Cal.)
• Flash point: 285.7°C (Cal.)