3beta-[[2-O-[2-O-[3-O-(beta-D-Glucopyranosyl)-alpha-L-Arabinopyranosyl]-alpha-L-Arabinopyranosyl]-alpha-L-Arabinopyranosyl]Oxy]-16alpha-Hydroxyolean-12-En-28-Oic Acid
[CAS# 25480-74-4]

Identification

• Name: 3beta-[[2-O-[2-O-[3-O-(beta-D-Glucopyranosyl)-alpha-L-Arabinopyranosyl]-alpha-L-Arabinopyranosyl]-alpha-L-Arabinopyranosyl]Oxy]-16alpha-Hydroxyolean-12-En-28-Oic Acid
• Synonyms: (4Ar,5R,6Ar,6As,6Br,8Ar,10S,12Ar,14Bs)-10-[(2S,3R,4S,5S)-3-[(2S,3R,4S,5S)-3-[(2S,3R,4S,5S)-3,5-Dihydroxy-4-[(2S,3R,4S,5S,6R)-3,4,5-Trihydroxy-6-(Hydroxymethyl)Tetrahydropyran-2-Yl]Oxy-Tetrahydropyran-2-Yl]Oxy-4,5-Dihydroxy-Tetrahydropyran-2-Yl]Oxy-4,5-Dihydroxy-Tetrahydropyran-2-Yl]Oxy-5-Hydroxy-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; (4Ar,5R,6Ar,6As,6Br,8Ar,10S,12Ar,14Bs)-10-[[(2S,3R,4S,5S)-3-[[(2S,3R,4S,5S)-3-[[(2S,3R,4S,5S)-3,5-Dihydroxy-4-[[(2S,3R,4S,5S,6R)-3,4,5-Trihydroxy-6-(Hydroxymethyl)-2-Tetrahydropyranyl]Oxy]-2-Tetrahydropyranyl]Oxy]-4,5-Dihydroxy-2-Tetrahydropyranyl]Oxy]-4,5-Dihydroxy-2-Tetrahydropyranyl]Oxy]-5-Hydroxy-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; (4Ar,5R,6Ar,6As,6Br,8Ar,10S,12Ar,14Bs)-10-[(2S,3R,4S,5S)-3-[(2S,3R,4S,5S)-3-[(2S,3R,4S,5S)-3,5-Dihydroxy-4-[(2S,3R,4S,5S,6R)-3,4,5-Trihydroxy-6-Methylol-Tetrahydropyran-2-Yl]Oxy-Tetrahydropyran-2-Yl]Oxy-4,5-Dihydroxy-Tetrahydropyran-2-Yl]Oxy-4,5-Dihydroxy-Tetrahydropyran-2-Yl]Oxy-5-Hydroxy-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: C₅₁H₈₂O₂₁
• Molecular Weight: 1031.20
• CAS Registry Number: 25480-74-4
• SMILES: [C@@]17([C@@H]([C@@]6([C@@H](CC1)C([C@@H](O[C@@H]2OC[C@H](O)[C@H](O)[C@H]2O[C@@H]3OC[C@H](O)[C@H](O)[C@H]3O[C@@H]5OC[C@H](O)[C@H](O[C@@H]4O[C@@H]([C@@H](O)[C@H](O)[C@H]4O)CO)[C@H]5O)CC6)(C)C)C)CC=C8[C@]7(C[C@@H](O)[C@@]9([C@H]8CC(CC9)(C)C)C(O)=O)C)C
• InChI: 1S/C51H82O21/c1-46(2)14-15-51(45(63)64)23(16-46)22-8-9-29-48(5)12-11-31(47(3,4)28(48)10-13-49(29,6)50(22,7)17-30(51)56)69-43-39(32(57)24(53)19-66-43)72-44-40(33(58)25(54)20-67-44)71-41-37(62)38(26(55)21-65-41)70-42-36(61)35(60)34(59)27(18-52)68-42/h8,23-44,52-62H,9-21H2,1-7H3,(H,63,64)/t23-,24-,25-,26-,27+,28-,29+,30+,31-,32-,33-,34+,35-,36+,37+,38-,39+,40+,41-,42-,43-,44-,48-,49+,50+,51+/m0/s1
• InChIKey: ZMEIKTTXONUYNX-SWMOGPPLSA-N

Properties

• Density: 1.462g/cm³ (Cal.)