97243-48-6 (22xi-羟基-24-脱氢-棘皮苷A,22xi-hydroxy-24-dehydro-echinoside A)

CAS号:
97243-48-6
中文名称:
22xi-羟基-24-脱氢-棘皮苷A
英文名称:
22xi-hydroxy-24-dehydro-echinoside A
分子式:
C54O27S
分子量:
1112.62661457062

22xi-羟基-24-脱氢-棘皮苷A(97243-48-6)名称与标识符

名称

英文别名:
22xi-hydroxy-24-dehydro-echinoside A;

标识符

InChIKey:
JHNBFVLNKVOOCC-UHFFFAOYSA-N
Inchi:
1S/C54O27S/c1-22(2)10-13-30(57)52(8)53(67)17-16-51(7)24-11-12-29-49(4,5)32(14-15-50(29,6)25(24)18-31(58)54(51,53)48(66)80-52)76-47-43(35(61)28(21-72-47)81-82(68,69)70)79-44-37(63)36(62)40(23(3)73-44)77-46-39(65)42(34(60)27(20-56)75-46)78-45-38(64)41(71-9)33(59)26(19-55)74-45
SMILES:
[C]O[C]1[C]([O])[C](O[C]2[C]([O])[C](O[C]3[C]([O])[C]([O])[C](O[C]4[C](O[C]5C([C])([C])[C]6[C][C][C]7C8(C9(C([C][C]8)([O])C([C]([C]/[C]=C(\[C])/[C])[O])([C])OC9=O)[C]([O])[C]=C7C6([C])[C][C]5)[C])O[C][C](OS(=O)(=O)[O])[C]4[O])O[C]3[C])O[C]([C][O])[C]2[O])O[C]([C][O])[C]1[O] |^1:0,2,3,4,5,7,8,9,10,12,13,14,15,16,17,19,20,22,24,25,26,29,35,37,39,41,42,43,44,48,49,50,53,56,59,64,65,66,68,69,71,73,74,75,77,79,80,81,^4:27,28,33,34,38,54,55,58,72,78|