乌头碱(302-27-2)红外图谱(IR1)
分子式:C34H47NO11
分子量: 645.74
InChI:InChI=1/C34H47NO11/c1-7-35-15-31(16-41-3)20(37)13-21(42-4)33-19-14-32(40)28(45-30(39)18-11-9-8-10-12-18)22(19)34(46-17(2)36,27(38)29(32)44-6)23(26(33)35)24(43-5)25(31)33/h8-12,19-29,37-38,40H,7,13-16H2,1-6H3/t19-,20-,21-,22-,23+,24+,25?,26+,27+,28-,29+,31+,32-,33?,34-/s3
InChIKey: XFSBVAOIAHNAPC-BVMAEFRSNA-N
Smiles:C123[C@H](OC)C[C@@H](O)[C@@]4(COC)CN(CC)[C@@]1([H])[C@@]([H])([C@@]1(OC(=O)C)[C@H]([C@H](OC)[C@]5(O)[C@H](OC(=O)C6C=CC=CC=6)[C@@]1([H])[C@@]2([H])C5)O)[C@H](OC)C34 |&1:1,5,7,15,17,19,24,25,28,30,40,42,46,r|