Aconitine hydrobromide
Molecular Formula:
C34H48BrNO11
InChI: InChI=1/C34H47NO11.BrH/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;1H/t19-,20?,21?,22-,23u,24?,25-,26-,27?,28?,29?,31u,32-,33u,34-;/m1./s1/fC34H48NO11.Br/h35H;1h/q+1;-1
InChIKey: InChIKey=QKBOPFIDNJPMBP-JHBLREAODM
SMILES: CC[NH+]1CC2(C(CC(C34C2C(C(C31)C5(C6C4CC(C6OC(=O)C7=CC=CC=C7)(C(C5O)OC)O)OC(=O)C)OC)OC)O)COC.[Br-]
Names:
Aconitine hydrobromide
ACONITINE, HYDROBROMIDE
EINECS 227-910-2
6034-57-7
Registries:
PubChem CID 22392
PubChem ID 165054
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