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2-[(2R,12bS)-3-Eth-(Z)-ylidene-4-oxo-1,2,3,4,6,7,12,12b-octahydro-indolo[2,3-a]quinolizin-2-yl]-malonic acid di-tert-butyl ester
SpectraBase Compound ID 7BZSjfX5XLg
InChI InChI=1S/C28H36N2O5/c1-8-16-19(22(25(32)34-27(2,3)4)26(33)35-28(5,6)7)15-21-23-18(13-14-30(21)24(16)31)17-11-9-10-12-20(17)29-23/h8-12,19,21-22,29H,13-15H2,1-7H3/b16-8-/t19-,21-/m0/s1
InChIKey IIFUGWFNWZWRPK-FPZLYZJISA-N
Mol Weight 480.6 g/mol
Molecular Formula C28H36N2O5
Exact Mass 480.262422 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID wp2GTC1esE
Name 2-[(2R,12bS)-3-Eth-(Z)-ylidene-4-oxo-1,2,3,4,6,7,12,12b-octahydro-indolo[2,3-a]quinolizin-2-yl]-malonic acid di-tert-butyl ester
CAS Registry Number 61756-67-0
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C28H36N2O5
InChI InChI=1S/C28H36N2O5/c1-8-16-19(22(25(32)34-27(2,3)4)26(33)35-28(5,6)7)15-21-23-18(13-14-30(21)24(16)31)17-11-9-10-12-20(17)29-23/h8-12,19,21-22,29H,13-15H2,1-7H3/b16-8-/t19-,21-/m0/s1
InChIKey IIFUGWFNWZWRPK-FPZLYZJISA-N
Molecular Weight 480.605 g/mol
SMILES [nH]1c2ccccc2c2CCN3[C@](c12)(C[C@@](\C(C3=O)=C/C)(C(C(OC(C)(C)C)=O)C(OC(C)(C)C)=O)[H])[H]
SPLASH splash10-014i-0239500000-df89d2a9dbba259e89fd
Source of Spectrum K-109-3835-20
Wiley ID 1395250