37209-28-2 ((Bungarotoxin)

CAS号:
37209-28-2
英文名称:
Bungarotoxin
分子式:
C50H70O14
分子量:
895.082400000001

Bungarotoxin(37209-28-2)名称与标识符

名称

英文别名:
Bungarotoxin;

标识符

InChIKey:
LYTCVQQGCSNFJU-LKGYBJPKSA-N
Inchi:
InChI=1S/C50H70O14/c1-25(24-51)14-28-17-37(52)50(8)41(54-28)19-33-34(61-50)18-32-29(55-33)10-9-12-46(4)42(58-32)23-49(7)40(62-46)21-39-47(5,64-49)13-11-30-44(60-39)26(2)15-31-36(56-30)22-48(6)38(57-31)20-35-45(63-48)27(3)16-43(53)59-35/h9-10,16,24,26,28-42,44-45,52H,1,11-15,17-23H2,2-8H3/b10-9-/t26-,28+,29-,30+,31+,32+,33+,34-,35+,36-,37+,38-,39+,40-,41-,42-,44-,45-,46+,47-,48+,49+,50+/m1/s1
SMILES:
O=CC(C[C@H]1C[C@H](O)[C@@]2(O[C@@H]3C[C@@H]4O[C@@H]5C[C@@]6(O[C@@]7(CC[C@@H]8O[C@@H]9C[C@]%10(C)O[C@@H]%11C(C)=CC(=O)O[C@H]%11C[C@H]%10O[C@H]9C[C@@H](C)[C@H]8O[C@H]7C[C@H]6O[C@@]5(C)CC=C[C@H]4O[C@H]3C[C@H]2O1)C)C)C)=C |c:59,&1:4,6,8,10,12,14,16,18,21,23,25,28,35,37,39,41,43,45,47,49,54,56,58|