Julibroside J1
[CAS# 175602-94-5]

Identification

• Name: Julibroside J1
• Molecular Formula: C₁₀₁H₁₆₀O₄₉
• Molecular Weight: 2158.35
• CAS Registry Number: 175602-94-5
• SMILES: [C@@]56([C@@H]([C@@]4([C@H](C([C@@H](O[C@@H]1O[C@@H]([C@@H](O)[C@H](O)[C@H]1O)CO[C@@H]2OC[C@H](O)[C@H](O)[C@H]2O[C@@H]3OC[C@@H](O)[C@H](O)[C@H]3O)CC4)(C)C)CC5)C)CC=C7[C@]6(C[C@@H](O)[C@@]%10([C@H]7CC([C@@H](OC(=O)C(=C/CC[C@](O[C@@H]9O[C@@H]([C@@H](OC(=O)C(=C/CC[C@@](O[C@@H]8O[C@@H]([C@@H](O)[C@H](O)[C@H]8O)C)(C=C)C)/C)[C@H](O)[C@H]9O)C)(C=C)C)/CO)C%10)(C)C)C(O[C@@H]%11O[C@@H]([C@@H](O)[C@H](O)[C@H]%11O[C@@H]%14O[C@H]([C@H](O[C@@H]%12O[C@H]([C@H](O)[C@H]%12O)CO)[C@@H](O[C@@H]%13O[C@@H]([C@@H](O)[C@H](O)[C@H]%13O)CO)[C@H]%14O)C)CO)=O)C)C
• InChI: 1S/C101H160O49/c1-16-96(11,149-89-74(125)65(116)58(109)41(4)134-89)26-18-20-40(3)82(128)143-77-42(5)136-90(75(126)69(77)120)150-97(12,17-2)27-19-21-44(33-102)83(129)141-57-32-101(93(130)148-92-81(68(119)62(113)50(35-104)139-92)147-88-76(127)79(145-87-73(124)66(117)61(112)49(34-103)137-87)78(43(6)135-88)144-86-71(122)63(114)51(36-105)138-86)46(30-94(57,7)8)45-22-23-54-98(13)28-25-56(95(9,10)53(98)24-29-99(54,14)100(45,15)31-55(101)108)142-85-72(123)67(118)64(115)52(140-85)39-133-91-80(60(111)48(107)38-132-91)146-84-70(121)59(110)47(106)37-131-84/h16-17,20-22,41-43,46-81,84-92,102-127H,1-2,18-19,23-39H2,3-15H3/b40-20+,44-21+/t41-,42-,43+,46+,47-,48+,49-,50-,51+,52-,53+,54-,55-,56+,57+,58-,59+,60+,61-,62-,63+,64-,65+,66+,67+,68+,69-,70-,71-,72-,73-,74-,75-,76-,77-,78+,79+,80-,81-,84+,85+,86+,87+,88+,89+,90+,91+,92+,96+,97-,98+,99-,100-,101-/m1/s1
• InChIKey: NXNQBJVYRRDDOL-JHSBMFLSSA-N