3beta-[(3-O-Methyl-6-Deoxy-beta-D-Glucopyranosyl)Oxy]-5,14,19-Trihydroxy-5beta-Card-20(22)-Enolide
[CAS# 15465-83-5]

Identification

• Name: 3beta-[(3-O-Methyl-6-Deoxy-beta-D-Glucopyranosyl)Oxy]-5,14,19-Trihydroxy-5beta-Card-20(22)-Enolide
• Synonyms: 4-[(3R,5S,10R,13R,14S,17R)-3-[(2R,5R)-3,5-Dihydroxy-4-Methoxy-6-Methyl-Tetrahydropyran-2-Yl]Oxy-5,14-Dihydroxy-10-(Hydroxymethyl)-13-Methyl-2,3,4,6,7,8,9,11,12,15,16,17-Dodecahydro-1H-Cyclopenta[A]Phenanthren-17-Yl]-5H-Furan-2-One; 4-[(3R,5S,10R,13R,14S,17R)-3-[[(2R,5R)-3,5-Dihydroxy-4-Methoxy-6-Methyl-2-Tetrahydropyranyl]Oxy]-5,14-Dihydroxy-10-(Hydroxymethyl)-13-Methyl-2,3,4,6,7,8,9,11,12,15,16,17-Dodecahydro-1H-Cyclopenta[A]Phenanthren-17-Yl]-5H-Furan-2-One; 4-[(3R,5S,10R,13R,14S,17R)-3-[(2R,5R)-3,5-Dihydroxy-4-Methoxy-6-Methyl-Tetrahydropyran-2-Yl]Oxy-5,14-Dihydroxy-13-Methyl-10-Methylol-2,3,4,6,7,8,9,11,12,15,16,17-Dodecahydro-1H-Cyclopenta[A]Phenanthren-17-Yl]-5H-Furan-2-One
• Molecular Formula: C₃₀H₄₆O₁₀
• Molecular Weight: 566.69
• CAS Registry Number: 15465-83-5
• 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)CO)CC[C@@]4([C@H](CC5)C6=CC(OC6)=O)C
• InChI: 1S/C30H46O10/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/h12,16,18-21,23-26,31,33-36H,4-11,13-15H2,1-3H3/t16?,18-,19-,20?,21?,23-,24?,25?,26+,27-,28+,29+,30+/m1/s1
• InChIKey: HTMGJMKAVXCOGH-WXMWHHRQSA-N

Properties

• Density: 1.369g/cm³ (Cal.)
• Boiling point: 768.831°C at 760 mmHg (Cal.)
• Flash point: 247.907°C (Cal.)