Gambieric acid B
[CAS# 141363-65-7]

Identification

• Name: Gambieric acid B
• Synonyms: 2-Furanpropanoic Acid, Tetrahydro-Beta,3-Dimethyl-5-(3-(2,3,4,4A,5A,6,6A,7A,8,11,11A,12A,13,13A,14A,15,16,17,18,19A,20,20A,21A,22,23,23A,24A,25,25A,26A,27,27A-Dotriacontahydro-6,17-Dihydroxy-2-(5-Hydroxy-2,4-Dimethyl-2-Pentenyl)-6A,8,12A,13A,17,27A-Hexamethyl-3-Methyleneoxepino(2''',3''':5'',6'')Pyrano(2'',3'':5',6')Pyrano(2',3':6,7)Oxepino(3,2-B)Pyrano(2''',3''':5'',6'')Pyrano(2'',3'':5',6')Pyrano(2',3':5,6)Pyrano(2,3-H)Oxonin-18-Yl)-2-Hydroxypropyl)-; Brn 5902437; Gambieric Acid B
• Molecular Formula: C₆₀H₉₄O₁₆
• Molecular Weight: 1071.39
• CAS Registry Number: 141363-65-7
• SMILES: [C@@]7%10(O[C@@H]6[C@H](O[C@@H]5[C@H](O[C@@]4([C@H](O[C@@H]3[C@](O[C@@H]1[C@H](O[C@H]([C@@](O)(CC1)C)C[C@H](O)C[C@@H]2O[C@H]([C@H](C2)C)[C@H](CC(=O)O)C)C3)(C4)C)CC5)C)C\C=C/[C@@H]6C)C[C@@H]7O[C@H]9[C@@H](O[C@H]8[C@@](O[C@@H](C(C8)=C)C\C(=C\[C@H](CO)C)C)(C9)C)[C@@H]%10O)C
• InChI: 1S/C60H94O16/c1-31(19-32(2)29-61)20-42-34(4)22-48-57(8,75-42)28-45-54(72-48)55(65)60(11)50(70-45)27-44-53(76-60)33(3)13-12-14-40-39(68-44)15-16-46-58(9,73-40)30-59(10)49(71-46)26-43-41(74-59)17-18-56(7,66)47(69-43)25-37(62)24-38-21-35(5)52(67-38)36(6)23-51(63)64/h12-13,19,32-33,35-50,52-55,61-62,65-66H,4,14-18,20-30H2,1-3,5-11H3,(H,63,64)/b13-12-,31-19+/t32-,33+,35+,36+,37-,38-,39+,40-,41+,42-,43-,44-,45-,46-,47+,48-,49+,50+,52-,53+,54-,55+,56+,57+,58+,59-,60+/m1/s1
• InChIKey: PLNXKBYHTXJJIY-ZAXYGDKESA-N

Properties

• Density: 1.261g/cm³ (Cal.)