342036-88-8 (异丙二酸;1-差向异构体,6-甲基醚,N-de-?酰基,6'-O-α-D-吡喃葡萄糖基,Ipecosidic acid; 1-Epimer, 6-Me ether, N-de-Ac, 6''-O-α-D-glucopyranosyl)

CAS号:
342036-88-8
中文名称:
异丙二酸;1-差向异构体,6-甲基醚,N-de-?酰基,6'-O-α-D-吡喃葡萄糖基
英文名称:
Ipecosidic acid; 1-Epimer, 6-Me ether, N-de-Ac, 6''-O-α-D-glucopyranosyl
分子式:
C31H43NO16
分子量:
685.670231103897

异丙二酸;1-差向异构体,6-甲基醚,N-de-?酰基,6'-O-α-D-吡喃葡萄糖基(342036-88-8)名称与标识符

标识符

InChIKey:
FTLMDSQFEONTKX-UHFFFAOYSA-N
Inchi:
1S/C31H43NO16/c1-3-13-15(7-17-14-8-18(34)19(43-2)6-12(14)4-5-32-17)16(28(41)42)10-44-29(13)48-31-27(40)25(38)23(36)21(47-31)11-45-30-26(39)24(37)22(35)20(9-33)46-30/h3,6,8,10,13,15,17,20-27,29-40H,1,4-5,7,9,11H2,2H3,(H,41,42)
SMILES:
COC1C(O)=CC2=C(CCNC2CC2C(C(=O)O)=COC(OC3C(O)C(O)C(O)C(COC4C(O)C(O)C(O)C(CO)O4)O3)C2C=C)C=1