Description
Vandrikidine is a natural alkaloid isolated from the herb of Melodinus khasianus.
Synonyms
Methyl (5α,12β,19α,20R)-20-hydroxy-16-methoxy-2,3,6,7-tetradehydroaspidospermidine-3-carboxylate
IUPAC Name
methyl (1R,12S,19R)-12-[(1R)-1-hydroxyethyl]-5-methoxy-8,16-diazapentacyclo[10.6.1.01,9.02,7.016,19]nonadeca-2(7),3,5,9,13-pentaene-10-carboxylate
Molecular Formula
C22H26N2O4
Canonical SMILES
CC(C12CC(=C3C4(C1N(CC4)CC=C2)C5=C(N3)C=C(C=C5)OC)C(=O)OC)O
InChI
InChI=1S/C22H26N2O4/c1-13(25)21-7-4-9-24-10-8-22(20(21)24)16-6-5-14(27-2)11-17(16)23-18(22)15(12-21)19(26)28-3/h4-7,11,13,20,23,25H,8-10,12H2,1-3H3/t13-,20+,21+,22+/m1/s1
InChIKey
ASAFZNAXYPDIJR-MCLJMYSDSA-N
Boiling Point
536.2±50.0°C (Predicted)
Density
1.34±0.1 g/cm3(Predicted)
pKa
14.75±0.20(Predicted)