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tert butyl ester of 2.beta.-hydroxymethyl-4.beta.-methyl-1,2,3,4,6,7,12,12b-octahydroindolo[2,3-a]quinolizin-3.alpha.-carboxylic acid
SpectraBase Compound ID ECOM0K2QoD3
InChI InChI=1S/C22H30N2O3/c1-13-19(21(26)27-22(2,3)4)14(12-25)11-18-20-16(9-10-24(13)18)15-7-5-6-8-17(15)23-20/h5-8,13-14,18-19,23,25H,9-12H2,1-4H3/t13-,14+,18?,19-/m0/s1
InChIKey WBQKCOSUJVBOFE-JSAQVEJNSA-N
Mol Weight 370.49 g/mol
Molecular Formula C22H30N2O3
Exact Mass 370.225643 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 4GDfUA1lRV4
Name tert butyl ester of 2.beta.-hydroxymethyl-4.beta.-methyl-1,2,3,4,6,7,12,12b-octahydroindolo[2,3-a]quinolizin-3.alpha.-carboxylic acid
Alternate Name(s) tert-Butyl (2S,3R,4S)-2-(hydroxymethyl)-4-methyl-1,2,3,4,6,7,12,12b-octahydroindolo[2,3-a]quinolizine-3-carboxylate
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Formula C22H30N2O3
InChI InChI=1S/C22H30N2O3/c1-13-19(21(26)27-22(2,3)4)14(12-25)11-18-20-16(9-10-24(13)18)15-7-5-6-8-17(15)23-20/h5-8,13-14,18-19,23,25H,9-12H2,1-4H3/t13-,14+,18?,19-/m0/s1
InChIKey WBQKCOSUJVBOFE-JSAQVEJNSA-N
Molecular Weight 370.493 g/mol
SMILES OC[C@@]1([C@]([C@@](N2C(c3c(CC2)c2ccccc2[nH]3)C1)(C)[H])(C(OC(C)(C)C)=O)[H])[H]
SPLASH splash10-046r-0339000000-c439948b1d45199ede63
Source of Spectrum K-111-1546-0
Wiley ID 1354492