3-(alpha-L-Arabinopyranosyloxy)-olean-12-en-28-oic acid O-6-deoxy-alpha-L-mannopyranosyl-(1-4)-O-6-O-acetyl-beta-D-glucopyranosyl-(1-6)-beta-D-glucopyranosyl ester
[CAS# 114912-35-5]

Identification

• Name: 3-(alpha-L-Arabinopyranosyloxy)-olean-12-en-28-oic acid O-6-deoxy-alpha-L-mannopyranosyl-(1-4)-O-6-O-acetyl-beta-D-glucopyranosyl-(1-6)-beta-D-glucopyranosyl ester
• Synonyms: [(2S,3R,4S,5S,6R)-6-[[(2R,3R,4R,5S,6R)-6-(Acetoxymethyl)-3,4-Dihydroxy-5-[(2S,3R,4R,5R,6S)-3,4,5-Trihydroxy-6-Methyl-Tetrahydropyran-2-Yl]Oxy-Tetrahydropyran-2-Yl]Oxymethyl]-3,4,5-Trihydroxy-Tetrahydropyran-2-Yl] (4As,6Ar,6As,6Br,8Ar,10S,12Ar,14Bs)-2,2,6A,6B,9,9,12A-Heptamethyl-10-[(2S,3R,4S,5S)-3,4,5-Trihydroxytetrahydropyran-2-Yl]Oxy-1,3,4,5,6,6A,7,8,8A,10,11,12,13,14B-Tetradecahydropicene-4A-Carboxylate; (4As,6Ar,6As,6Br,8Ar,10S,12Ar,14Bs)-2,2,6A,6B,9,9,12A-Heptamethyl-10-[[(2S,3R,4S,5S)-3,4,5-Trihydroxy-2-Tetrahydropyranyl]Oxy]-1,3,4,5,6,6A,7,8,8A,10,11,12,13,14B-Tetradecahydropicene-4A-Carboxylic Acid [(2S,3R,4S,5S,6R)-6-[[(2R,3R,4R,5S,6R)-6-(Acetoxymethyl)-3,4-Dihydroxy-5-[[(2S,3R,4R,5R,6S)-3,4,5-Trihydroxy-6-Methyl-2-Tetrahydropyranyl]Oxy]-2-Tetrahydropyranyl]Oxymethyl]-3,4,5-Trihydroxy-2-Tetrahydropyranyl] Ester; (4As,6Ar,6As,6Br,8Ar,10S,12Ar,14Bs)-2,2,6A,6B,9,9,12A-Heptamethyl-10-[(2S,3R,4S,5S)-3,4,5-Trihydroxytetrahydropyran-2-Yl]Oxy-1,3,4,5,6,6A,7,8,8A,10,11,12,13,14B-Tetradecahydropicene-4A-Carboxylic Acid [(2S,3R,4S,5S,6R)-6-[[(2R,3R,4R,5S,6R)-6-(Acetoxymethyl)-3,4-Dihydroxy-5-[(2S,3R,4R,5R,6S)-3,4,5-Trihydroxy-6-Methyl-Tetrahydropyran-2-Yl]Oxy-Tetrahydropyran-2-Yl]Oxymethyl]-3,4,5-Trihydroxy-Tetrahydropyran-2-Yl] Ester
• Molecular Formula: C₅₅H₈₈O₂₂
• Molecular Weight: 1101.29
• CAS Registry Number: 114912-35-5
• SMILES: [C@]26(C(=CC[C@@H]3[C@]1(CC[C@@H](C([C@@H]1CC[C@@]23C)(C)C)O[C@H]4[C@@H]([C@@H](O)[C@H](CO4)O)O)C)[C@@H]5CC(C)(C)CC[C@@]5(CC6)C(O[C@H]7[C@@H]([C@@H](O)[C@@H]([C@H](O7)CO[C@H]8[C@@H]([C@@H](O)[C@@H]([C@H](O8)COC(=O)C)O[C@H]9[C@@H]([C@H](O)[C@H]([C@@H](O9)C)O)O)O)O)O)=O)C
• InChI: 1S/C55H88O22/c1-24-34(58)37(61)41(65)47(72-24)76-44-30(23-69-25(2)56)74-45(43(67)39(44)63)71-22-29-36(60)38(62)42(66)48(73-29)77-49(68)55-18-16-50(3,4)20-27(55)26-10-11-32-52(7)14-13-33(75-46-40(64)35(59)28(57)21-70-46)51(5,6)31(52)12-15-54(32,9)53(26,8)17-19-55/h10,24,27-48,57-67H,11-23H2,1-9H3/t24-,27-,28-,29+,30+,31-,32+,33-,34-,35-,36+,37+,38-,39+,40+,41+,42+,43+,44+,45+,46-,47-,48-,52-,53+,54+,55-/m0/s1
• InChIKey: SXLYHZXGNXAASM-VBSKCKADSA-N

Properties

• Density: 1.421g/cm³ (Cal.)