(3beta,5alpha)-3-((O-(2,6-dideoxy-D-arabino-hexosyl)-D-glucosyl)oxy)-14-hydroxy-Card-20(22)-enolide
[CAS# 100857-42-9]

Identification

• Name: (3beta,5alpha)-3-((O-(2,6-dideoxy-D-arabino-hexosyl)-D-glucosyl)oxy)-14-hydroxy-Card-20(22)-enolide
• Synonyms: 4-[(3S,5S,8R,9S,10S,13R,17R)-3-[(2R,3R,4S,5S,6R)-3-[(4R,5S,6R)-4,5-Dihydroxy-6-Methyl-Tetrahydropyran-2-Yl]Oxy-4,5-Dihydroxy-6-(Hydroxymethyl)Tetrahydropyran-2-Yl]Oxy-14-Hydroxy-10,13-Dimethyl-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,8R,9S,10S,13R,17R)-3-[[(2R,3R,4S,5S,6R)-3-[[(4R,5S,6R)-4,5-Dihydroxy-6-Methyl-2-Tetrahydropyranyl]Oxy]-4,5-Dihydroxy-6-(Hydroxymethyl)-2-Tetrahydropyranyl]Oxy]-14-Hydroxy-10,13-Dimethyl-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,8R,9S,10S,13R,17R)-3-[(2R,3R,4S,5S,6R)-3-[(4R,5S,6R)-4,5-Dihydroxy-6-Methyl-Tetrahydropyran-2-Yl]Oxy-4,5-Dihydroxy-6-Methylol-Tetrahydropyran-2-Yl]Oxy-14-Hydroxy-10,13-Dimethyl-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: C₃₅H₅₄O₁₂
• Molecular Weight: 666.80
• CAS Registry Number: 100857-42-9
• SMILES: [C@H]15[C@@H]([C@@]4([C@@H](CC1)C[C@@H](O[C@@H]2O[C@@H]([C@@H](O)[C@H](O)[C@H]2OC3O[C@@H]([C@@H](O)[C@H](O)C3)C)CO)CC4)C)CC[C@]6(C5(O)CC[C@@H]6C7=CC(OC7)=O)C
• InChI: 1S/C35H54O12/c1-17-28(39)24(37)14-27(44-17)47-31-30(41)29(40)25(15-36)46-32(31)45-20-6-9-33(2)19(13-20)4-5-23-22(33)7-10-34(3)21(8-11-35(23,34)42)18-12-26(38)43-16-18/h12,17,19-25,27-32,36-37,39-42H,4-11,13-16H2,1-3H3/t17-,19+,20+,21-,22+,23-,24-,25-,27?,28-,29-,30+,31-,32-,33+,34-,35?/m1/s1
• InChIKey: DZIKSWKAPREDIH-WDTGYIAMSA-N