Ristocetin A
[CAS# 37361-31-2]

Identification

• Name: Ristocetin A
• Synonyms: Ristomycin A
• Molecular Formula: C₉₅H₁₁₀N₈O₄₄
• CAS Registry Number: 37361-31-2
• SMILES: C2=C%15C(=C(OC1OC(C(O)C(O)C1O)CO)C=C2O)C3=C(O)C=CC(=C3)C%14NC(=O)C%11NC(=O)C5NC(=O)C(NC(=O)C(N)C4=CC(=C(O)C=C4)OC6=CC5=CC(=C6C)O)C(O)C%17=CC=C(OC%12=C(OC7OC(C(O)C(O)C7OC8OC(C(O)C(O)C8OC9OCC(O)C(O)C9O)CO)COC%10OC(C(O)C(O)C%10O)C)C(=CC%11=C%12)OC%16=CC=C(C(OC%13OC(C(O)C(N)C%13)C)C(NC%14=O)C(=O)NC%15C(OC)=O)C=C%16)C=C%17
• InChI: 1S/C95H110N8O44/c1-30-47(109)18-37-20-49(30)139-50-19-35(9-16-46(50)108)59(97)84(125)102-64-68(113)33-5-11-40(12-6-33)137-52-21-38-22-53(81(52)145-95-83(76(121)72(117)56(143-95)29-134-91-78(123)73(118)67(112)32(3)136-91)147-94-82(75(120)71(116)55(27-105)142-94)146-92-77(122)69(114)48(110)28-133-92)138-41-13-7-34(8-14-41)80(144-57-25-44(96)66(111)31(2)135-57)65-89(130)101-63(90(131)132-4)43-23-39(106)24-51(140-93-79(124)74(119)70(115)54(26-104)141-93)58(43)42-17-36(10-15-45(42)107)60(85(126)103-65)98-87(128)62(38)99-86(127)61(37)100-88(64)129/h5-24,31-32,44,48,54-57,59-80,82-83,91-95,104-124H,25-29,96-97H2,1-4H3,(H,98,128)(H,99,127)(H,100,129)(H,101,130)(H,102,125)(H,103,126)
• InChIKey: VUOPFFVAZTUEGW-UHFFFAOYSA-N