Mild aconitine
Molecular Formula:
C34H47NO11
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-,23u,24?,25-,26-,27?,28?,29?,31u,32-,33u,34-/m1/s1
InChIKey: InChIKey=XFSBVAOIAHNAPC-JLRBZGMIBS
SMILES: CCN1CC2(C(CC(C34C2C(C(C31)C5(C6C4CC(C6OC(=O)C7=CC=CC=C7)(C(C5O)OC)O)OC(=O)C)OC)OC)O)COC
Names:
ACONITINE, AMORPHOUS
Mild aconitate
Mild aconitine
8006-38-0
Registries:
PubChem CID 22393
PubChem ID 167233
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