3beta-[(3,4-O-Phenylmethylene-2,6-Dideoxy-beta-D-Ribo-Hexopyranosyl)Oxy]-5,14-Dihydroxy-19-Oxo-5beta-Card-20(22)-Enolide
[CAS# 28719-23-5]

Identification

• Name: 3beta-[(3,4-O-Phenylmethylene-2,6-Dideoxy-beta-D-Ribo-Hexopyranosyl)Oxy]-5,14-Dihydroxy-19-Oxo-5beta-Card-20(22)-Enolide
• Synonyms: (3R,5S,10S,13R,14S,17R)-3-[[(3Ar,6R)-4-Methyl-2-Phenyl-4,6,7,7A-Tetrahydro-3Ah-[1,3]Dioxolo[4,5-D]Pyran-6-Yl]Oxy]-5,14-Dihydroxy-13-Methyl-17-(5-Oxo-2H-Furan-3-Yl)-2,3,4,6,7,8,9,11,12,15,16,17-Dodecahydro-1H-Cyclopenta[A]Phenanthrene-10-Carboxaldehyde; (3R,5S,10S,13R,14S,17R)-3-[[(3Ar,6R)-4-Methyl-2-Phenyl-4,6,7,7A-Tetrahydro-3Ah-[1,3]Dioxolo[4,5-D]Pyran-6-Yl]Oxy]-5,14-Dihydroxy-17-(5-Keto-2H-Furan-3-Yl)-13-Methyl-2,3,4,6,7,8,9,11,12,15,16,17-Dodecahydro-1H-Cyclopenta[A]Phenanthrene-10-Carbaldehyde; 5-Beta-Card-20(22)-Enolide, 3-Beta-((2,6-Dideoxy-3,4-O-(Phenylmethylene)-Beta-D-
• Molecular Formula: C₃₆H₄₆O₉
• Molecular Weight: 622.75
• CAS Registry Number: 28719-23-5
• SMILES: [C@@]67(O)C1C([C@@]5([C@](O)(CC1)C[C@H](O[C@@H]3OC([C@H]2OC(OC2C3)C4=CC=CC=C4)C)CC5)C=O)CC[C@@]6([C@H](CC7)C8=CC(OC8)=O)C
• InChI: 1S/C36H46O9/c1-21-31-28(44-32(45-31)22-6-4-3-5-7-22)17-30(42-21)43-24-8-13-34(20-37)26-9-12-33(2)25(23-16-29(38)41-19-23)11-15-36(33,40)27(26)10-14-35(34,39)18-24/h3-7,16,20-21,24-28,30-32,39-40H,8-15,17-19H2,1-2H3/t21?,24-,25-,26?,27?,28?,30+,31-,32?,33-,34+,35+,36+/m1/s1
• InChIKey: MXTHSRLPPKBDCB-BCPWGFQKSA-N

Properties

• Density: 1.341g/cm³ (Cal.)
• Boiling point: 777.49°C at 760 mmHg (Cal.)
• Flash point: 244.064°C (Cal.)