3-(alpha-L-Arabinopyranosyloxy)-30-noroleana-12,20(29)-dien-28-oic acid O-6-deoxy-alpha-L-mannopyranosyl-(1-4)-O-beta-D-glucopyranosyl-(1-6)-beta-D-glucopyranosyl ester
[CAS# 114906-73-9]

Identification

• Name: 3-(alpha-L-Arabinopyranosyloxy)-30-noroleana-12,20(29)-dien-28-oic acid O-6-deoxy-alpha-L-mannopyranosyl-(1-4)-O-beta-D-glucopyranosyl-(1-6)-beta-D-glucopyranosyl ester
• Synonyms: [(2S,3R,4S,5S,6R)-6-[[(2R,3R,4R,5S,6R)-3,4-Dihydroxy-6-(Hydroxymethyl)-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)-6A,6B,9,9,12A-Pentamethyl-2-Methylene-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)-6A,6B,9,9,12A-Pentamethyl-2-Methylene-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)-3,4-Dihydroxy-6-(Hydroxymethyl)-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)-6A,6B,9,9,12A-Pentamethyl-2-Methylene-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)-3,4-Dihydroxy-6-Methylol-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: C₅₂H₈₂O₂₁
• Molecular Weight: 1043.21
• CAS Registry Number: 114906-73-9
• 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)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)CO)O[C@H]9[C@@H]([C@H](O)[C@H]([C@@H](O9)C)O)O)O)O)O)=O)C
• InChI: 1S/C52H82O21/c1-22-10-15-52(47(65)73-46-40(63)36(59)34(57)28(70-46)21-67-43-41(64)37(60)42(27(19-53)69-43)72-45-39(62)35(58)32(55)23(2)68-45)17-16-50(6)24(25(52)18-22)8-9-30-49(5)13-12-31(48(3,4)29(49)11-14-51(30,50)7)71-44-38(61)33(56)26(54)20-66-44/h8,23,25-46,53-64H,1,9-21H2,2-7H3/t23-,25-,26-,27+,28+,29-,30+,31-,32-,33-,34+,35+,36-,37+,38+,39+,40+,41+,42+,43+,44-,45-,46-,49-,50+,51+,52-/m0/s1
• InChIKey: HMQSPQLUUHPGBG-MCVRKTBJSA-N

Properties

• Density: 1.456g/cm³ (Cal.)