[10-Formyl-1,5,14,16-Tetrahydroxy-13-Methyl-17-(6-Oxopyran-3-Yl)-2,3,4,6,7,8,9,11,12,15,16,17-Dodecahydro-1H-Cyclopenta[a]Phenanthren-3-Yl] Acetate
[CAS# 36405-85-3]

Identification

• Name: [10-Formyl-1,5,14,16-Tetrahydroxy-13-Methyl-17-(6-Oxopyran-3-Yl)-2,3,4,6,7,8,9,11,12,15,16,17-Dodecahydro-1H-Cyclopenta[a]Phenanthren-3-Yl] Acetate
• Synonyms: Acetic Acid [10-Formyl-1,5,14,16-Tetrahydroxy-13-Methyl-17-(6-Oxo-3-Pyranyl)-2,3,4,6,7,8,9,11,12,15,16,17-Dodecahydro-1H-Cyclopenta[A]Phenanthren-3-Yl] Ester; Acetic Acid [10-Formyl-1,5,14,16-Tetrahydroxy-17-(6-Ketopyran-3-Yl)-13-Methyl-2,3,4,6,7,8,9,11,12,15,16,17-Dodecahydro-1H-Cyclopenta[A]Phenanthren-3-Yl] Ester; [1,5,14,16-Tetrahydroxy-10-Methanoyl-13-Methyl-17-(6-Oxopyran-3-Yl)-2,3,4,6,7,8,9,11,12,15,16,17-Dodecahydro-1H-Cyclopenta[A]Phenanthren-3-Yl] Ethanoate
• Molecular Formula: C₂₆H₃₄O₉
• Molecular Weight: 490.55
• CAS Registry Number: 36405-85-3
• SMILES: CC(=O)OC4CC(C3(C2CCC1(C(C(CC1(C2CCC3(C4)O)O)O)C5=COC(C=C5)=O)C)C=O)O
• InChI: 1S/C26H34O9/c1-14(28)35-16-9-20(30)25(13-27)17-5-7-23(2)22(15-3-4-21(31)34-12-15)19(29)11-26(23,33)18(17)6-8-24(25,32)10-16/h3-4,12-13,16-20,22,29-30,32-33H,5-11H2,1-2H3
• InChIKey: LMCGIPDPVHSWDF-UHFFFAOYSA-N

Properties

• Density: 1.424g/cm³ (Cal.)
• Boiling point: 690.402°C at 760 mmHg (Cal.)
• Flash point: 231.114°C (Cal.)