Pyrrhocoricin
[CAS# 156548-23-1]

Identification

• Name: Pyrrhocoricin
• Molecular Formula: C₁₁₃H₁₇₉N₃₃O₃₄
• Molecular Weight: 2543.86
• CAS Registry Number: 156548-23-1
• SMILES: [C@H](C(=O)OC([C@]1(N(CCC1)C([C@@H](NC([C@H]2N(CCC2)C([C@H]3N(CCC3)C([C@@H](NC([C@@H](NC([C@@H](NC(CNC([C@@H](NC([C@@H](NC([C@@H](N)C(C)C)=O)CC(=O)O)=O)CCCCN)=O)=O)CO)=O)CC4=CC=C(O)C=C4)=O)[C@@H](C)OC5[C@@H]([C@@H](O)[C@@H](O)[C@H](O5)CO)NC(=O)C)=O)=O)=O)CCCNC(=N)N)=O)C([C@H]6N(CCC6)C([C@@H](NC([C@H]7N(CCC7)C([C@@H](N)CC(C)C)=O)=O)CCCNC(=N)N)=O)=O)=O)(NC([C@@H](NC([C@@H](NC([C@@H](NC([C@@H](N)[C@H](CC)C)=O)CC8=CC=C(O)C=C8)=O)CC(=O)N)=O)CCCNC(=N)N)=O)CC(=O)N
• InChI: 1S/C113H179N33O34/c1-9-57(6)85(119)101(170)138-69(47-60-28-32-62(150)33-29-60)93(162)137-71(49-80(116)152)94(163)133-66(21-12-38-126-110(120)121)92(161)140-73(50-81(117)153)107(176)180-109(177)113(90(159)75-24-15-41-142(75)103(172)67(22-13-39-127-111(122)123)134-98(167)76-25-16-42-143(76)102(171)64(115)46-55(2)3)36-19-45-146(113)104(173)68(23-14-40-128-112(124)125)135-99(168)77-26-17-43-144(77)105(174)78-27-18-44-145(78)106(175)86(58(7)178-108-87(130-59(8)149)89(158)88(157)79(54-148)179-108)141-96(165)70(48-61-30-34-63(151)35-31-61)136-97(166)74(53-147)131-82(154)52-129-91(160)65(20-10-11-37-114)132-95(164)72(51-83(155)156)139-100(169)84(118)56(4)5/h28-35,55-58,64-79,84-89,108,147-148,150-151,157-158H,9-27,36-54,114-115,118-119H2,1-8H3,(H2,116,152)(H2,117,153)(H,129,160)(H,130,149)(H,131,154)(H,132,164)(H,133,163)(H,134,167)(H,135,168)(H,136,166)(H,137,162)(H,138,170)(H,139,169)(H,140,161)(H,141,165)(H,155,156)(H4,120,121,126)(H4,122,123,127)(H4,124,125,128)/t57-,58+,64-,65-,66-,67-,68-,69-,70-,71-,72-,73-,74-,75-,76-,77-,78-,79+,84-,85-,86-,87+,88-,89+,108?,113+/m0/s1
• InChIKey: UWTNKIQOJMCYQD-WWVPZDBJSA-N