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(2S,12bS)-2-[(1R,2R)-1-carbomethoxy-2-hydroxy-propyl]-1,2,6,7,12,12b-hexahydropyrido[2,1-a]$b-carboline-3-carboxylic acid tert-butyl ester
SpectraBase Compound ID B288J12Bf1b
InChI InChI=1S/C25H32N2O5/c1-14(28)21(24(30)31-5)17-12-20-22-16(15-8-6-7-9-19(15)26-22)10-11-27(20)13-18(17)23(29)32-25(2,3)4/h6-9,13-14,17,20-21,26,28H,10-12H2,1-5H3/t14-,17-,20+,21+/m1/s1
InChIKey IQAKZXMIOOTXES-LPNJYYIDSA-N
Mol Weight 440.5 g/mol
Molecular Formula C25H32N2O5
Exact Mass 440.231122 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID JwuPNt0zz2d
Name (2S,12bS)-2-[(1R,2R)-1-carbomethoxy-2-hydroxy-propyl]-1,2,6,7,12,12b-hexahydropyrido[2,1-a]$b-carboline-3-carboxylic acid tert-butyl ester
Comments Less than 3 mono-isotopic peaks
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C25H32N2O5
InChI InChI=1S/C25H32N2O5/c1-14(28)21(24(30)31-5)17-12-20-22-16(15-8-6-7-9-19(15)26-22)10-11-27(20)13-18(17)23(29)32-25(2,3)4/h6-9,13-14,17,20-21,26,28H,10-12H2,1-5H3/t14-,17-,20+,21+/m1/s1
InChIKey IQAKZXMIOOTXES-LPNJYYIDSA-N
Molecular Weight 440.540 g/mol
SMILES O[C@@]([C@@]([C@]1(C(=CN2[C@](c3c(CC2)c2ccccc2[nH]3)(C1)[H])C(OC(C)(C)C)=O)[H])(C(=O)OC)[H])(C)[H]
SPLASH splash10-014i-0090300000-0f79851c08c9d925f620
Source of Spectrum U-1996-353-10
Synonyms (2S,12bS)-2-[(2R,3R)-3-hydroxy-1-methoxy-1-oxobutan-2-yl]-1,2,6,7,12,12b-hexahydroindolo[2,3-a]quinolizine-3-carboxylic acid tert-butyl ester tert-butyl (2S,12bS)-2-[(2R,3R)-1-methoxy-3-oxidanyl-1-oxidanylidene-butan-2-yl]-1,2,6,7,12,12b-hexahydroindolo[2,3-a]quinolizine-3-carboxylate tert-butyl (2S,12bS)-2-[(2R,3R)-3-hydroxy-1-methoxy-1-oxobutan-2-yl]-1,2,6,7,12,12b-hexahydroindolo[2,3-a]quinolizine-3-carboxylate
Wiley ID 768161