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(2S,3R,12bR)-3-Acetyl-2-[(tert-butoxycarbonyl)(methoxycarbonyl)methyl]-1,2,3,4,6,7,12,12b-octahydroindolo[2,3-a]quinolizine
SpectraBase Compound ID 7TgzN26ShT7
InChI InChI=1S/C25H32N2O5/c1-14(28)18-13-27-11-10-16-15-8-6-7-9-19(15)26-22(16)20(27)12-17(18)21(23(29)31-5)24(30)32-25(2,3)4/h6-9,17-18,20-21,26H,10-13H2,1-5H3/t17-,18+,20+,21?/m0/s1
InChIKey CYPGBXBUIVJUEB-ICWHHGQHSA-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 JExulk3R4lm
Name (2S,3R,12bR)-3-Acetyl-2-[(tert-butoxycarbonyl)(methoxycarbonyl)methyl]-1,2,3,4,6,7,12,12b-octahydroindolo[2,3-a]quinolizine
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Formula C25H32N2O5
InChI InChI=1S/C25H32N2O5/c1-14(28)18-13-27-11-10-16-15-8-6-7-9-19(15)26-22(16)20(27)12-17(18)21(23(29)31-5)24(30)32-25(2,3)4/h6-9,17-18,20-21,26H,10-13H2,1-5H3/t17-,18+,20+,21?/m0/s1
InChIKey CYPGBXBUIVJUEB-ICWHHGQHSA-N
Molecular Weight 440.540 g/mol
SMILES [nH]1c2c(c3c1cccc3)CCN1[C@@]2(C[C@@]([C@](C1)(C(C)=O)[H])(C(C(=O)OC(C)(C)C)C(=O)OC)[H])[H]
SPLASH splash10-00m0-0933300000-323efc88773b3b85845c
Source of Spectrum K-108-256-10b
Synonyms 1-(tert-butyl) 3-methyl 2-((2S,3R,12bR)-3-acetyl-1,2,3,4,6,7,12,12b-octahydroindolo[2,3-a]quinolizin-2-yl)malonate
Wiley ID 1793804