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tert-Butyl ester of 2.beta.-(2,2-dimethoxyethyl)-4.beta.-methyl-1,2,3,4,6,7,12,12b-octahydroindolo(2,3-a)quinolizin-3.alpha.-carboxylic acid

View entire compound with spectra: 1 MS (GC)

tert-Butyl ester of 2.beta.-(2,2-dimethoxyethyl)-4.beta.-methyl-1,2,3,4,6,7,12,12b-octahydroindolo(2,3-a)quinolizin-3.alpha.-carboxylic acid
SpectraBase Compound ID 9Yz4aSVxcd
InChI InChI=1S/C25H36N2O4/c1-15-22(24(28)31-25(2,3)4)16(14-21(29-5)30-6)13-20-23-18(11-12-27(15)20)17-9-7-8-10-19(17)26-23/h7-10,15-16,20-22,26H,11-14H2,1-6H3/t15-,16+,20?,22-/m0/s1
InChIKey VTDUFZLLYSDPSM-QMCIZJPHSA-N
Mol Weight 428.6 g/mol
Molecular Formula C25H36N2O4
Exact Mass 428.267508 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID GdPJFvpLNjZ
Name tert-Butyl ester of 2.beta.-(2,2-dimethoxyethyl)-4.beta.-methyl-1,2,3,4,6,7,12,12b-octahydroindolo(2,3-a)quinolizin-3.alpha.-carboxylic acid
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Formula C25H36N2O4
InChI InChI=1S/C25H36N2O4/c1-15-22(24(28)31-25(2,3)4)16(14-21(29-5)30-6)13-20-23-18(11-12-27(15)20)17-9-7-8-10-19(17)26-23/h7-10,15-16,20-22,26H,11-14H2,1-6H3/t15-,16+,20?,22-/m0/s1
InChIKey VTDUFZLLYSDPSM-QMCIZJPHSA-N
Molecular Weight 428.573 g/mol
SMILES [nH]1c2ccccc2c2CCN3C(c12)C[C@@]([C@]([C@@]3(C)[H])(C(OC(C)(C)C)=O)[H])(CC(OC)OC)[H]
SPLASH splash10-0473-0279600000-348195a5430d4bf7dcee
Source of Spectrum K-111-1546-0
Synonyms tert-Butyl (2R,3R,4S)-2-(2,2-dimethoxyethyl)-4-methyl-1,2,3,4,6,7,12,12b-octahydroindolo[2,3-a]quinolizine-3-carboxylate
Wiley ID 1380757