3-O-((Xylopyranosyl-1-3-xylopyranosyl-1-4-rhamnopyranosyl-1-2)-(rhamnopyranosyl-1-4)-glucopyranosyl)-3,16-trihydroxyolean-12-en-28-oic acid
[CAS# 141258-70-0]

Identification

• Name: 3-O-((Xylopyranosyl-1-3-xylopyranosyl-1-4-rhamnopyranosyl-1-2)-(rhamnopyranosyl-1-4)-glucopyranosyl)-3,16-trihydroxyolean-12-en-28-oic acid
• Synonyms: (3S,4Ar,5R,6Ar,6As,6Br,10S,12Ar,14Br)-3,5-Dihydroxy-10-[(2S,3R,4S,5R,6R)-5-Hydroxy-6-(Hydroxymethyl)-3-[(2S,3R,4R,5S,6S)-5-Hydroxy-6-Methyl-3,4-Bis[[(2R,3R,4S,5R)-3,4,5-Trihydroxytetrahydropyran-2-Yl]Oxy]Tetrahydropyran-2-Yl]Oxy-4-[(2S,3R,4R,5R,6S)-3,4,5-Trihydroxy-6-Methyl-Tetrahydropyran-2-Yl]Oxy-Tetrahydropyran-2-Yl]Oxy-2,2,6A,6B,9,9,12A-Heptamethyl-1,3,4,5,6,6A,7,8,8A,10,11,12,13,14B-Tetradecahydropicene-4A-Carboxylic Acid; (3S,4Ar,5R,6Ar,6As,6Br,10S,12Ar,14Br)-3,5-Dihydroxy-10-[[(2S,3R,4S,5R,6R)-5-Hydroxy-6-(Hydroxymethyl)-3-[[(2S,3R,4R,5S,6S)-5-Hydroxy-6-Methyl-3,4-Bis[[(2R,3R,4S,5R)-3,4,5-Trihydroxy-2-Tetrahydropyranyl]Oxy]-2-Tetrahydropyranyl]Oxy]-4-[[(2S,3R,4R,5R,6S)-3,4,5-Trihydroxy-6-Methyl-2-Tetrahydropyranyl]Oxy]-2-Tetrahydropyranyl]Oxy]-2,2,6A,6B,9,9,12A-Heptamethyl-1,3,4,5,6,6A,7,8,8A,10,11,12,13,14B-Tetradecahydropicene-4A-Carboxylic Acid; (3S,4Ar,5R,6Ar,6As,6Br,10S,12Ar,14Br)-3,5-Dihydroxy-10-[(2S,3R,4S,5R,6R)-5-Hydroxy-3-[(2S,3R,4R,5S,6S)-5-Hydroxy-6-Methyl-3,4-Bis[[(2R,3R,4S,5R)-3,4,5-Trihydroxytetrahydropyran-2-Yl]Oxy]Tetrahydropyran-2-Yl]Oxy-6-Methylol-4-[(2S,3R,4R,5R,6S)-3,4,5-Trihydroxy-6-Methyl-Tetrahydropyran-2-Yl]Oxy-Tetrahydropyran-2-Yl]Oxy-2,2,6A,6B,9,9,12A-Heptamethyl-1,3,4,5,6,6A,7,8,8A,10,11,12,13,14B-Tetradecahydropicene-4A-Carboxylic Acid
• Molecular Formula: C₅₈H₉₄O₂₆
• Molecular Weight: 1207.37
• CAS Registry Number: 141258-70-0
• SMILES: [C@@]18([C@]9(C(=CC[C@@H]1[C@@]7(C(C([C@@H](O[C@H]3O[C@@H]([C@@H](O)[C@H](O[C@@H]2O[C@H]([C@H](O)[C@@H](O)[C@H]2O)C)[C@H]3O[C@@H]5O[C@H]([C@H](O)[C@@H](O[C@H]4OC[C@@H](O)[C@H](O)[C@H]4O)[C@H]5O[C@H]6OC[C@@H](O)[C@H](O)[C@H]6O)C)CO)CC7)(C)C)CC8)C)[C@@H]%10[C@@]([C@H](O)C9)(C[C@H](O)C(C%10)(C)C)C(=O)O)C)C
• InChI: 1S/C58H94O26/c1-22-34(64)39(69)42(72)49(77-22)82-44-38(68)28(19-59)79-51(46(44)84-50-45(83-48-41(71)37(67)27(61)21-76-48)43(35(65)23(2)78-50)81-47-40(70)36(66)26(60)20-75-47)80-33-13-14-55(7)29(54(33,5)6)12-15-56(8)30(55)11-10-24-25-16-53(3,4)31(62)18-58(25,52(73)74)32(63)17-57(24,56)9/h10,22-23,25-51,59-72H,11-21H2,1-9H3,(H,73,74)/t22-,23-,25+,26+,27+,28+,29?,30+,31-,32+,33-,34-,35-,36-,37-,38+,39+,40+,41+,42+,43+,44-,45+,46+,47+,48+,49-,50-,51+,55-,56+,57+,58+/m0/s1
• InChIKey: SWYCLLUDXGWZGU-WWEOOWPQSA-N

Properties

• Density: 1.5g/cm³ (Cal.)