Description
N-Methoxyanhydrovobasinediol is a natural alkaloid found in the herbs of Gelsemium elegans.
Synonyms
N-Methoxyanhydrovobasinediol; 125180-42-9; (1S,12S,15Z,16S)-15-ethylidene-3-methoxy-13-methyl-19-oxa-3,13-diazapentacyclo[14.3.1.02,10.04,9.012,17]icosa-2(10),4,6,8-tetraene
IUPAC Name
(1S,12S,15Z,16S)-15-ethylidene-3-methoxy-13-methyl-19-oxa-3,13-diazapentacyclo[14.3.1.02,10.04,9.012,17]icosa-2(10),4,6,8-tetraene
Molecular Formula
C21H26N2O2
Canonical SMILES
CC=C1CN(C2CC3=C(C4CC1C2CO4)N(C5=CC=CC=C35)OC)C
InChI
InChI=1S/C21H26N2O2/c1-4-13-11-22(2)19-9-16-14-7-5-6-8-18(14)23(24-3)21(16)20-10-15(13)17(19)12-25-20/h4-8,15,17,19-20H,9-12H2,1-3H3/b13-4+/t15-,17?,19+,20+/m1/s1
InChIKey
WZEYGSAJRPIRJA-WNVLZHRLSA-N
Boiling Point
492.6±55.0°C (Predicted)
Density
1.30±0.1 g/cm3(Predicted)