Mesaconitine hydrobromide
Molecular Formula:
C33H46BrNO11
InChI: InChI=1/C33H45NO11.BrH/c1-16(35)45-33-21-18(13-31(39,28(43-6)26(33)37)27(21)44-29(38)17-10-8-7-9-11-17)32-20(41-4)12-19(36)30(15-40-3)14-34(2)25(32)22(33)23(42-5)24(30)32;/h7-11,18-28,36-37,39H,12-15H2,1-6H3;1H/t18-,19?,20?,21-,22u,23?,24-,25-,26?,27?,28+,30u,31-,32u,33-;/m1./s1/fC33H46NO11.Br/h34H;1h/q+1;-1
InChIKey: InChIKey=BQESRYPXHSPANU-ISBSSMOODG
SMILES: CC(=O)OC12C3C(CC(C3OC(=O)C4=CC=CC=C4)(C(C1O)OC)O)C56C(CC(C7(C5C(C2C6[NH+](C7)C)OC)COC)O)OC.[Br-]
Names:
Aconitane-3,8,13,14,15-pentol, 4-(methoxymethyl)-20-methyl-1,6,16-trimethoxy-, 8-acetate 14-benzoate, hydrobromide, (1-alpha,3-alpha,6-alpha,14-alpha,15-alpha,16-beta)-
ACONITANE-3,8,13,14,15-PENTOL, 4-(METHOXYMETHYL)-20-METHYL-1,6,16-TRIMETHOXY-, 8
Mesaconitine hydrobromide
71425-64-4
Registries:
PubChem CID 51315
PubChem ID 189536
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