3-Acetylstrophanthin
[CAS# 28146-52-3]

Identification

• Name: 3-Acetylstrophanthin
• Synonyms: Acetic Acid [(3S,5S,8R,9S,10S,13R,14S,17R)-10-Formyl-5,14-Dihydroxy-17-(4-Hydroxy-5-Oxo-4H-Furan-3-Yl)-13-Methyl-2,3,4,6,7,8,9,11,12,15,16,17-Dodecahydro-1H-Cyclopenta[A]Phenanthren-3-Yl] Ester; Acetic Acid [(3S,5S,8R,9S,10S,13R,14S,17R)-10-Formyl-5,14-Dihydroxy-17-(4-Hydroxy-5-Keto-4H-Furan-3-Yl)-13-Methyl-2,3,4,6,7,8,9,11,12,15,16,17-Dodecahydro-1H-Cyclopenta[A]Phenanthren-3-Yl] Ester; [(3S,5S,8R,9S,10S,13R,14S,17R)-5,14-Dihydroxy-17-(4-Hydroxy-5-Oxo-4H-Furan-3-Yl)-10-Methanoyl-13-Methyl-2,3,4,6,7,8,9,11,12,15,16,17-Dodecahydro-1H-Cyclopenta[A]Phenanthren-3-Yl] Ethanoate
• Molecular Formula: C₂₅H₃₄O₈
• Molecular Weight: 462.54
• CAS Registry Number: 28146-52-3
• SMILES: [C@@H]1(CC[C@]2([C@@](C1)(CC[C@@H]3[C@@H]2CC[C@]4([C@@]3(CC[C@@H]4C5=COC(C5O)=O)O)C)O)C=O)OC(=O)C
• InChI: 1S/C25H34O8/c1-14(27)33-15-3-8-23(13-26)18-4-7-22(2)17(16-12-32-21(29)20(16)28)6-10-25(22,31)19(18)5-9-24(23,30)11-15/h12-13,15,17-20,28,30-31H,3-11H2,1-2H3/t15-,17+,18-,19+,20?,22+,23-,24-,25-/m0/s1
• InChIKey: BDTCKWPJSFDTGT-NKCJMHJHSA-N

Properties

• Density: 1.372g/cm³ (Cal.)
• Boiling point: 664.693°C at 760 mmHg (Cal.)
• Flash point: 224.51°C (Cal.)