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Corynan-18-carboxylic acid, 18,19,20,21-tetradehydro-17-ethoxy-17-oxo-, ethyl ester, (3.beta.,18E)-(.+-.)-
SpectraBase Compound ID Gxz4K2DqYeh
InChI InChI=1S/C24H28N2O4/c1-4-29-22(27)13-16-12-21-23-18(17-8-6-7-9-20(17)25-23)10-11-26(21)14-19(16)15(3)24(28)30-5-2/h6-12,15-16,19,25H,4-5,13-14H2,1-3H3/t15?,16-,19-/m1/s1
InChIKey PKQCHJVJIBDMGQ-HFLHWUEFSA-N
Mol Weight 408.5 g/mol
Molecular Formula C24H28N2O4
Exact Mass 408.204907 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID lfN3usjKQ8
Name Corynan-18-carboxylic acid, 18,19,20,21-tetradehydro-17-ethoxy-17-oxo-, ethyl ester, (3.beta.,18E)-(.+-.)-
CAS Registry Number 118577-67-6
Comments Less than 3 mono-isotopic peaks
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Formula C24H28N2O4
InChI InChI=1S/C24H28N2O4/c1-4-29-22(27)13-16-12-21-23-18(17-8-6-7-9-20(17)25-23)10-11-26(21)14-19(16)15(3)24(28)30-5-2/h6-12,15-16,19,25H,4-5,13-14H2,1-3H3/t15?,16-,19-/m1/s1
InChIKey PKQCHJVJIBDMGQ-HFLHWUEFSA-N
Molecular Weight 408.498 g/mol
SMILES [nH]1c2ccccc2c2C=CN3C(c12)=C[C@@]([C@](C3)(C(C(=O)OCC)C)[H])(CC(=O)OCC)[H]
SPLASH splash10-0ab9-0005900000-c98dc5e7da10845eb94f
Source of Spectrum J-54-1171-7
Synonyms Indolo[2,3-a]quinolizine, corynan-18-carboxylic acid deriv. 3-[2-(ethoxycarbonyl)ethenyl]-4-[(ethoxycarbonyl)methyl]-4,5,11,12-tetrahydro-5ah-indolo[2,3-a]quinolizidine ethyl 2-[(4R,5S)-4-(2-ethoxy-2-oxoethyl)-7,17-diazatetracyclo[8.7.0.0(2,7).0(11,16)]heptadeca-1(10),2,8,11,13,15-hexaen-5-yl]propanoate
Wiley ID 1373049