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(+)-4-N-(tert-Butoxycarbonyl)-1,2,4,4a,5,6,6a,7,8,9,9a,9b.beta.-Dodecahydro-3-hydroxy-3-pyridyl-6a.beta.-methyl-(3H)-cyclopenta[f]quinolin-7-one
SpectraBase Compound ID LbYzvSi6Sft
InChI InChI=1S/C23H32N2O4/c1-21(2,3)29-20(27)25-18-10-11-22(4)17(7-8-19(22)26)16(18)9-12-23(25,28)15-6-5-13-24-14-15/h5-6,13-14,16-18,28H,7-12H2,1-4H3/t16-,17?,18?,22-,23?/m0/s1
InChIKey HABNTRBVWIXFAG-WQJBMJGJSA-N
Mol Weight 400.5 g/mol
Molecular Formula C23H32N2O4
Exact Mass 400.236208 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID HNNevswkOBI
Name (+)-4-N-(tert-Butoxycarbonyl)-1,2,4,4a,5,6,6a,7,8,9,9a,9b.beta.-Dodecahydro-3-hydroxy-3-pyridyl-6a.beta.-methyl-(3H)-cyclopenta[f]quinolin-7-one
Comments Less than 3 mono-isotopic peaks
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Formula C23H32N2O4
InChI InChI=1S/C23H32N2O4/c1-21(2,3)29-20(27)25-18-10-11-22(4)17(7-8-19(22)26)16(18)9-12-23(25,28)15-6-5-13-24-14-15/h5-6,13-14,16-18,28H,7-12H2,1-4H3/t16-,17?,18?,22-,23?/m0/s1
InChIKey HABNTRBVWIXFAG-WQJBMJGJSA-N
Molecular Weight 400.519 g/mol
SMILES OC1(N(C(OC(C)(C)C)=O)C2[C@](C3CCC([C@]3(CC2)C)=O)(CC1)[H])c1cnccc1
SPLASH splash10-000i-0900000000-e2932cd0285868f1074a
Source of Spectrum J-64-4986-6
Synonyms (+)-4-N-(tert-Butoxycarbonyl)-1,2,4,4a.alpha.,5,6,6a,7,8,9,9a.alpha.,9b.beta.-Dodecahydro-3-hydroxy-3-pyridyl-6a.beta.-methyl-(3H)-cyclopenta[f]quinolin-7-one tert-butyl (6aS,9bS)-3-hydroxy-6a-methyl-7-oxo-3-(3-pyridinyl)dodecahydro-4H-cyclopenta[f]quinoline-4-carboxylate
Wiley ID 1530550