3beta-[(3-O-Methyl-6-Deoxy-beta-D-Glucopyranosyl)Oxy]-5,14-Dihydroxy-19-Oxo-5beta-Card-20(22)-Enolide
[CAS# 15487-11-3]

Identification

• Name: 3beta-[(3-O-Methyl-6-Deoxy-beta-D-Glucopyranosyl)Oxy]-5,14-Dihydroxy-19-Oxo-5beta-Card-20(22)-Enolide
• Synonyms: (3R,5S,10S,13R,14S,17R)-3-[(2R,5R)-3,5-Dihydroxy-4-Methoxy-6-Methyl-Tetrahydropyran-2-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-Carbaldehyde; (3R,5S,10S,13R,14S,17R)-3-[[(2R,5R)-3,5-Dihydroxy-4-Methoxy-6-Methyl-2-Tetrahydropyranyl]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-[(2R,5R)-3,5-Dihydroxy-4-Methoxy-6-Methyl-Tetrahydropyran-2-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
• Molecular Formula: C₃₀H₄₄O₁₀
• Molecular Weight: 564.67
• CAS Registry Number: 15487-11-3
• SMILES: [C@@]45(O)C1C([C@@]3([C@](O)(CC1)C[C@H](O[C@@H]2OC([C@@H](O)C(OC)C2O)C)CC3)C=O)CC[C@@]4([C@H](CC5)C6=CC(OC6)=O)C
• InChI: 1S/C30H44O10/c1-16-23(33)25(37-3)24(34)26(39-16)40-18-4-9-28(15-31)20-5-8-27(2)19(17-12-22(32)38-14-17)7-11-30(27,36)21(20)6-10-29(28,35)13-18/h12,15-16,18-21,23-26,33-36H,4-11,13-14H2,1-3H3/t16?,18-,19-,20?,21?,23-,24?,25?,26+,27-,28+,29+,30+/m1/s1
• InChIKey: DPKLBEWKXLCUQW-WXMWHHRQSA-N

Properties

• Density: 1.365g/cm³ (Cal.)
• Boiling point: 760.97°C at 760 mmHg (Cal.)
• Flash point: 245.845°C (Cal.)