For citations & permissions, please see: Citations & Permissions - Wiley Science Solutions*

*Links on SpectraBase are not permalinks.
Corynan-18-carboxylic acid, 18,19,20,21-tetradehydro-17-ethoxy-17-oxo-, methyl ester, (3.beta.,18E)-(.+-.)-
SpectraBase Compound ID F6vWk2P8GpV
InChI InChI=1S/C23H26N2O4/c1-3-29-22(27)13-16-12-20-23-18(17-6-4-5-7-19(17)24-23)10-11-25(20)14-15(16)8-9-21(26)28-2/h4-7,10-12,15,20,24H,3,8-9,13-14H2,1-2H3/t15?,20-/m1/s1
InChIKey BAHZQSXASXLWSN-YQYDADCPSA-N
Mol Weight 394.47 g/mol
Molecular Formula C23H26N2O4
Exact Mass 394.189257 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

View the Full Spectrum for FREE!

The full spectrum can only be viewed using a FREE account.

SpectraBase Spectrum ID 9uA0QTT2Acl
Name Corynan-18-carboxylic acid, 18,19,20,21-tetradehydro-17-ethoxy-17-oxo-, methyl ester, (3.beta.,18E)-(.+-.)-
CAS Registry Number 114252-07-2
Comments Less than 3 mono-isotopic peaks
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C23H26N2O4
InChI InChI=1S/C23H26N2O4/c1-3-29-22(27)13-16-12-20-23-18(17-6-4-5-7-19(17)24-23)10-11-25(20)14-15(16)8-9-21(26)28-2/h4-7,10-12,15,20,24H,3,8-9,13-14H2,1-2H3/t15?,20-/m1/s1
InChIKey BAHZQSXASXLWSN-YQYDADCPSA-N
Molecular Weight 394.471 g/mol
SMILES [nH]1c2ccccc2c2c1[C@@]1(N(C=C2)CC(C(=C1)CC(=O)OCC)CCC(=O)OC)[H]
SPLASH splash10-0a4l-0009000000-2cb2a9a0e60a187e902c
Source of Spectrum J-54-1171-6
Synonyms Indolo[2,3-a]quinolizine, corynan-18-carboxylic acid deriv. 3-[2-(methoxycarbonyl)ethenyl]-4-[(ethoxycarbonyl)methyl]-4,5,11,12-tetrahydro-5ah-indolo[2,3-a]quinolizidine methyl 3-[(2R)-4-(2-ethoxy-2-oxoethyl)-7,17-diazatetracyclo[8.7.0.0(2,7).0(11,16)]heptadeca-1(10),3,8,11(16),12,14-hexaen-5-yl]propanoate
Wiley ID 1366724