3beta-[(4-O-beta-D-Glucopyranosyl-6-Deoxy-beta-D-Galactopyranosyl)Oxy]-14-Hydroxy-5alpha-Card-20(22)-Enolide
[CAS# 17179-38-3]

Identification

• Name: 3beta-[(4-O-beta-D-Glucopyranosyl-6-Deoxy-beta-D-Galactopyranosyl)Oxy]-14-Hydroxy-5alpha-Card-20(22)-Enolide
• Synonyms: 4-[(3S,5S,10S,13R,14S,17R)-14-Hydroxy-10,13-Dimethyl-3-[(2R,5R)-3,4,5-Trihydroxy-6-[[(3R,6S)-4,5,6-Trihydroxy-2-Methyl-Tetrahydropyran-3-Yl]Oxymethyl]Tetrahydropyran-2-Yl]Oxy-1,2,3,4,5,6,7,8,9,11,12,15,16,17-Tetradecahydrocyclopenta[A]Phenanthren-17-Yl]-5H-Furan-2-One; 4-[(3S,5S,10S,13R,14S,17R)-14-Hydroxy-10,13-Dimethyl-3-[[(2R,5R)-3,4,5-Trihydroxy-6-[[(3R,6S)-4,5,6-Trihydroxy-2-Methyl-3-Tetrahydropyranyl]Oxymethyl]-2-Tetrahydropyranyl]Oxy]-1,2,3,4,5,6,7,8,9,11,12,15,16,17-Tetradecahydrocyclopenta[A]Phenanthren-17-Yl]-5H-Furan-2-One; 4-[(3S,5S,10S,13R,14S,17R)-14-Hydroxy-10,13-Dimethyl-3-[(2R,5R)-3,4,5-Trihydroxy-6-[[(3R,6S)-4,5,6-Trihydroxy-2-Methyl-Oxan-3-Yl]Oxymethyl]Oxan-2-Yl]Oxy-1,2,3,4,5,6,7,8,9,11,12,15,16,17-Tetradecahydrocyclopenta[A]Phenanthren-17-Yl]-5H-Furan-2-One
• Molecular Formula: C₃₅H₅₄O₁₃
• Molecular Weight: 682.80
• CAS Registry Number: 17179-38-3
• SMILES: [C@]56([C@@](O)(C1C([C@@]4([C@@H](CC1)C[C@@H](O[C@@H]2OC([C@H](O)C(O)C2O)CO[C@@H]3C(O)C(O)[C@H](OC3C)O)CC4)C)CC5)CC[C@@H]6C7=CC(OC7)=O)C
• InChI: 1S/C35H54O13/c1-16-30(27(39)28(40)31(42)46-16)45-15-23-25(37)26(38)29(41)32(48-23)47-19-6-9-33(2)18(13-19)4-5-22-21(33)7-10-34(3)20(8-11-35(22,34)43)17-12-24(36)44-14-17/h12,16,18-23,25-32,37-43H,4-11,13-15H2,1-3H3/t16?,18-,19-,20+,21?,22?,23?,25-,26?,27?,28?,29?,30-,31-,32+,33-,34+,35-/m0/s1
• InChIKey: ZBNBSIKYLONGAI-CCECJFCVSA-N

Properties

• Density: 1.426g/cm³ (Cal.)
• Boiling point: 863.094°C at 760 mmHg (Cal.)
• Flash point: 267.86°C (Cal.)