3beta-[(6-Deoxy-alpha-L-Talopyranosyl)Oxy]-1beta,5,11alpha,14,19-Pentahydroxy-5beta-Card-20(22)-Enolide
[CAS# 6251-64-5]

Identification

• Name: 3beta-[(6-Deoxy-alpha-L-Talopyranosyl)Oxy]-1beta,5,11alpha,14,19-Pentahydroxy-5beta-Card-20(22)-Enolide
• Synonyms: 4-[(1R,3S,5S,8R,9S,10R,11R,13R,14S,17R)-1,5,11,14-Tetrahydroxy-10-(Hydroxymethyl)-13-Methyl-3-(3,4,5-Trihydroxy-6-Methyl-Tetrahydropyran-2-Yl)Oxy-2,3,4,6,7,8,9,11,12,15,16,17-Dodecahydro-1H-Cyclopenta[A]Phenanthren-17-Yl]-5H-Furan-2-One; 4-[(1R,3S,5S,8R,9S,10R,11R,13R,14S,17R)-1,5,11,14-Tetrahydroxy-10-(Hydroxymethyl)-13-Methyl-3-[(3,4,5-Trihydroxy-6-Methyl-2-Tetrahydropyranyl)Oxy]-2,3,4,6,7,8,9,11,12,15,16,17-Dodecahydro-1H-Cyclopenta[A]Phenanthren-17-Yl]-5H-Furan-2-One; 4-[(1R,3S,5S,8R,9S,10R,11R,13R,14S,17R)-1,5,11,14-Tetrahydroxy-13-Methyl-10-Methylol-3-(3,4,5-Trihydroxy-6-Methyl-Tetrahydropyran-2-Yl)Oxy-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: C₂₉H₄₄O₁₂
• Molecular Weight: 584.66
• CAS Registry Number: 6251-64-5
• SMILES: [C@H]3([C@]2(C[C@@H](O)[C@@H]1[C@]5(CO)[C@](CC[C@H]1[C@]2(CC3)O)(C[C@@H](OC4OC(C)C(O)C(C4O)O)C[C@H]5O)O)C)C6=CC(OC6)=O
• InChI: 1S/C29H44O12/c1-13-22(34)23(35)24(36)25(40-13)41-15-8-19(32)28(12-30)21-17(3-5-27(28,37)9-15)29(38)6-4-16(14-7-20(33)39-11-14)26(29,2)10-18(21)31/h7,13,15-19,21-25,30-32,34-38H,3-6,8-12H2,1-2H3/t13?,15-,16+,17+,18+,19+,21+,22?,23?,24?,25?,26+,27-,28+,29-/m0/s1
• InChIKey: LPMXVESGRSUGHW-PCCRTPNOSA-N

Properties

• Density: 1.52g/cm³ (Cal.)
• Boiling point: 838.219°C at 760 mmHg (Cal.)
• Flash point: 272.893°C (Cal.)