3beta-[(3-O-Methyl-2,6-Dideoxy-alpha-L-Arabino-Hexopyranosyl)Oxy]-12beta,14-Dihydroxy-11-Oxo-5beta-Card-20(22)-Enolide
[CAS# 559-58-0]

Identification

• Name: 3beta-[(3-O-Methyl-2,6-Dideoxy-alpha-L-Arabino-Hexopyranosyl)Oxy]-12beta,14-Dihydroxy-11-Oxo-5beta-Card-20(22)-Enolide
• Synonyms: 4-[(3S,5R,10S,12S,13S,14S,17R)-12,14-Dihydroxy-3-[(2S,5R)-5-Hydroxy-4-Methoxy-6-Methyl-Tetrahydropyran-2-Yl]Oxy-10,13-Dimethyl-11-Oxo-2,3,4,5,6,7,8,9,12,15,16,17-Dodecahydro-1H-Cyclopenta[A]Phenanthren-17-Yl]-5H-Furan-2-One; 4-[(3S,5R,10S,12S,13S,14S,17R)-12,14-Dihydroxy-3-[[(2S,5R)-5-Hydroxy-4-Methoxy-6-Methyl-2-Tetrahydropyranyl]Oxy]-10,13-Dimethyl-11-Oxo-2,3,4,5,6,7,8,9,12,15,16,17-Dodecahydro-1H-Cyclopenta[A]Phenanthren-17-Yl]-5H-Furan-2-One; 4-[(3S,5R,10S,12S,13S,14S,17R)-12,14-Dihydroxy-3-[(2S,5R)-5-Hydroxy-4-Methoxy-6-Methyl-Tetrahydropyran-2-Yl]Oxy-11-Keto-10,13-Dimethyl-2,3,4,5,6,7,8,9,12,15,16,17-Dodecahydro-1H-Cyclopenta[A]Phenanthren-17-Yl]-5H-Furan-2-One
• Molecular Formula: C₃₀H₄₄O₉
• Molecular Weight: 548.67
• CAS Registry Number: 559-58-0
• SMILES: [C@]45([C@@](O)(C1C([C@@]3([C@H](CC1)C[C@@H](O[C@H]2OC([C@@H](O)C(OC)C2)C)CC3)C)C(=O)[C@H]4O)CC[C@@H]5C6=CC(OC6)=O)C
• InChI: 1S/C30H44O9/c1-15-25(32)21(36-4)13-23(38-15)39-18-7-9-28(2)17(12-18)5-6-20-24(28)26(33)27(34)29(3)19(8-10-30(20,29)35)16-11-22(31)37-14-16/h11,15,17-21,23-25,27,32,34-35H,5-10,12-14H2,1-4H3/t15?,17-,18+,19-,20?,21?,23-,24?,25-,27-,28+,29+,30+/m1/s1
• InChIKey: NHHVCMQEIZXJDB-RSKCUQLVSA-N

Properties

• Density: 1.318g/cm³ (Cal.)
• Boiling point: 730.091°C at 760 mmHg (Cal.)
• Flash point: 235.666°C (Cal.)