Yiyeliangwanoside I
[CAS# 135272-49-0]

Identification

• Name: Yiyeliangwanoside I
• Synonyms: (4Ar,6Ar,6As,6Br,10S,12Ar,14Br)-10-[(2S,3R,4R,5S)-4,5-Diacetoxy-3-Hydroxy-Tetrahydropyran-2-Yl]Oxy-4A-[(2R,3R,4S,5R,6R)-5-Hydroxy-6-(Hydroxymethyl)-3-[(2R,3R,4S,5S,6R)-3,4,5-Trihydroxy-6-(Hydroxymethyl)Tetrahydropyran-2-Yl]Oxy-4-[(2S,3R,4R,5R,6S)-3,4,5-Trihydroxy-6-Methyl-Tetrahydropyran-2-Yl]Oxy-Tetrahydropyran-2-Yl]Oxycarbonyl-2,6A,6B,9,9,12A-Hexamethyl-1,3,4,5,6,6A,7,8,8A,10,11,12,13,14B-Tetradecahydropicene-2-Carboxylic Acid; (4Ar,6Ar,6As,6Br,10S,12Ar,14Br)-10-[[(2S,3R,4R,5S)-4,5-Diacetoxy-3-Hydroxy-2-Tetrahydropyranyl]Oxy]-4A-[[(2R,3R,4S,5R,6R)-5-Hydroxy-6-(Hydroxymethyl)-3-[[(2R,3R,4S,5S,6R)-3,4,5-Trihydroxy-6-(Hydroxymethyl)-2-Tetrahydropyranyl]Oxy]-4-[[(2S,3R,4R,5R,6S)-3,4,5-Trihydroxy-6-Methyl-2-Tetrahydropyranyl]Oxy]-2-Tetrahydropyranyl]Oxy-Oxomethyl]-2,6A,6B,9,9,12A-Hexamethyl-1,3,4,5,6,6A,7,8,8A,10,11,12,13,14B-Tetradecahydropicene-2-Carboxylic Acid; (4Ar,6Ar,6As,6Br,10S,12Ar,14Br)-10-[(2S,3R,4R,5S)-4,5-Diacetoxy-3-Hydroxy-Tetrahydropyran-2-Yl]Oxy-4A-[(2R,3R,4S,5R,6R)-5-Hydroxy-6-Methylol-3-[(2R,3R,4S,5S,6R)-3,4,5-Trihydroxy-6-Methylol-Tetrahydropyran-2-Yl]Oxy-4-[(2S,3R,4R,5R,6S)-3,4,5-Trihydroxy-6-Methyl-Tetrahydropyran-2-Yl]Oxy-Tetrahydropyran-2-Yl]Oxycarbonyl-2,6A,6B,9,9,12A-Hexamethyl-1,3,4,5,6,6A,7,8,8A,10,11,12,13,14B-Tetradecahydropicene-2-Carboxylic Acid
• Molecular Formula: C₅₇H₈₈O₂₅
• Molecular Weight: 1173.31
• CAS Registry Number: 135272-49-0
• SMILES: [C@@]34([C@@H]([C@@]2(C(C([C@@H](O[C@@H]1OC[C@H](OC(=O)C)[C@H](OC(=O)C)[C@H]1O)CC2)(C)C)CC3)C)CC=C5[C@]4(CC[C@@]6([C@@H]5CC(CC6)(C(=O)O)C)C(O[C@H]8O[C@@H]([C@@H](O)[C@H](O[C@@H]7O[C@H]([C@H](O)[C@@H](O)[C@H]7O)C)[C@H]8O[C@H]9O[C@@H]([C@@H](O)[C@H](O)[C@H]9O)CO)CO)=O)C)C
• InChI: 1S/C57H88O25/c1-24-35(62)38(65)40(67)47(74-24)80-44-37(64)30(22-59)78-49(45(44)81-48-41(68)39(66)36(63)29(21-58)77-48)82-51(72)57-18-16-53(6,50(70)71)20-28(57)27-10-11-33-54(7)14-13-34(52(4,5)32(54)12-15-56(33,9)55(27,8)17-19-57)79-46-42(69)43(76-26(3)61)31(23-73-46)75-25(2)60/h10,24,28-49,58-59,62-69H,11-23H2,1-9H3,(H,70,71)/t24-,28+,29+,30+,31-,32?,33+,34-,35-,36+,37+,38+,39-,40+,41+,42+,43-,44-,45+,46-,47-,48+,49+,53?,54-,55+,56+,57-/m0/s1
• InChIKey: FXNTUAWTJJIORK-PBPSADCISA-N

Properties

• Density: 1.456g/cm³ (Cal.)