Cannogenol-3-O-beta-D-Allomethyloside
[CAS# 546-02-1]

Identification

• Name: Cannogenol-3-O-beta-D-Allomethyloside
• Synonyms: 4-[(3S,5R,8R,9S,10R,13R,14S,17R)-14-Hydroxy-10-(Hydroxymethyl)-13-Methyl-3-[(3R,4R,5S,6R)-3,4,5-Trihydroxy-6-Methyl-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,5R,8R,9S,10R,13R,14S,17R)-14-Hydroxy-10-(Hydroxymethyl)-13-Methyl-3-[[(3R,4R,5S,6R)-3,4,5-Trihydroxy-6-Methyl-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,5R,8R,9S,10R,13R,14S,17R)-14-Hydroxy-13-Methyl-10-Methylol-3-[(3R,4R,5S,6R)-3,4,5-Trihydroxy-6-Methyl-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
• Molecular Formula: C₂₉H₄₄O₉
• Molecular Weight: 536.66
• CAS Registry Number: 546-02-1
• SMILES: [C@H]14[C@@H]([C@@]3([C@H](CC1)C[C@@H](OC2O[C@@H]([C@@H](O)[C@@H](O)[C@H]2O)C)CC3)CO)CC[C@]5([C@]4(O)CC[C@@H]5C6=CC(OC6)=O)C
• InChI: 1S/C29H44O9/c1-15-23(32)24(33)25(34)26(37-15)38-18-5-9-28(14-30)17(12-18)3-4-21-20(28)6-8-27(2)19(7-10-29(21,27)35)16-11-22(31)36-13-16/h11,15,17-21,23-26,30,32-35H,3-10,12-14H2,1-2H3/t15-,17-,18+,19-,20+,21-,23-,24-,25-,26?,27-,28-,29+/m1/s1
• InChIKey: WPVGSIBYLZQSIK-VEZJFPMXSA-N