70031-42-4 (3-(3-羟基-5,18-seco-ibogamin-13-基)-22-去甲沃巴桑-17-油酸甲酯,3-(3-hydroxy-5,18-seco-ibogamin-13-yl)-22-nor-vobasan-17-oic acid methyl ester)

CAS号:
70031-42-4
中文名称:
3-(3-羟基-5,18-seco-ibogamin-13-基)-22-去甲沃巴桑-17-油酸甲酯
英文名称:
3-(3-hydroxy-5,18-seco-ibogamin-13-yl)-22-nor-vobasan-17-oic acid methyl ester
分子式:
C39H48N4O3
分子量:
620.82343006134

3-(3-羟基-5,18-seco-ibogamin-13-基)-22-去甲沃巴桑-17-油酸甲酯(70031-42-4)名称与标识符

名称

英文别名:
3-(3-hydroxy-5,18-seco-ibogamin-13-yl)-22-nor-vobasan-17-oic acid methyl ester;Desmethylcapuvosine;

标识符

InChIKey:
DURIMWNZNPLRGN-OZDWGKQUSA-N
Inchi:
1S/C39H48N4O3/c1-4-22-19-40-35-18-31-26-8-6-7-9-32(26)42-37(31)30(17-29(22)36(35)39(45)46-3)24-10-12-27-28-14-15-43-20-23(5-2)38(44)25(21-43)11-13-33(28)41-34(27)16-24/h4,6-10,12,16,23,25,29-30,35-36,38,40-42,44H,5,11,13-15,17-21H2,1-3H3/b22-4-
SMILES:
CCC1C(O)C2CCC3=C(CCN(C2)C1)C1C(=CC(C2C4NC5C(C=4CC4NC/C(/C(C4C(OC)=O)C2)=C/C)=CC=CC=5)=CC=1)N3