Mesaconitine
Molecular Formula:
C33H45NO11
InChI: InChI=1/C33H45NO11/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/t18u,19-,20+,21u,22+,23+,24?,25?,26+,27?,28+,30+,31?,32+,33-/m1/s1
InChIKey: InChIKey=XUHJBXVYNBQQBD-BVNCGLMMBU
SMILES: CC(=O)OC12C3C(CC(C3OC(=O)C4=CC=CC=C4)(C(C1O)OC)O)C56C(CC(C7(C5C(C2C6N(C7)C)OC)COC)O)OC
Names:
Mesaconitine
Registries:
PubChem CID 6426871
PubChem ID 10486856
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