Indaconitine
Molecular Formula:
C34H47NO10
InChI: InChI=1/C34H47NO10/c1-7-35-16-31(17-40-3)21(37)13-22(41-4)34-20-14-32(39)23(42-5)15-33(45-18(2)36,25(28(34)35)26(43-6)27(31)34)24(20)29(32)44-30(38)19-11-9-8-10-12-19/h8-12,20-29,37,39H,7,13-17H2,1-6H3/t20-,21?,22?,23?,24-,25u,26?,27-,28-,29?,31u,32+,33-,34u/m1/s1
InChIKey: InChIKey=PHDZNMWTZQPAEW-ARHJQUBXBJ
SMILES: CCN1CC2(C(CC(C34C2C(C(C31)C5(CC(C6(CC4C5C6OC(=O)C7=CC=CC=C7)O)OC)OC(=O)C)OC)OC)O)COC
Names:
Acetylbenzoylpseudaconine
Acetylbenzoylpseudoaconine
Aconitane-3,8,13,14-tetrol, 20-ethyl-4-(methoxymethyl)-1,6,16-trimethoxy-, 8-acetate 14-benzoate, (1-alpha,3-alpha,6-alpha,14-alpha,16-beta)-
ACONITANE-3,8,13,14-TETROL, 20-ETHYL-4-(METHOXYMETHYL)-1,6,16-TRIMETHOXY-, 8-ACE
BRN 0074036
Indaconitine
15-Deoxyaconitine
4491-19-4
5-21-06-00308 (Beilstein Handbook Reference)
Registries:
PubChem CID 20573
PubChem ID 163392
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