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8-ACETOXY-3-BENZYLOXYCARBONYL-6-[2-(1,3-DIOXOLANYL)]-2,3,4,5,6,7,8,9-OCTAHYDRO-1-H-AZECINO-[5.4-B]-INDOL3
SpectraBase Compound ID 7eNrF5EwxSa
InChI InChI=1S/C28H32N2O6/c1-19(31)36-25-17-21(27-33-15-16-34-27)11-13-30(28(32)35-18-20-7-3-2-4-8-20)14-12-23-22-9-5-6-10-24(22)29-26(23)25/h2-10,21,25,27,29H,11-18H2,1H3/t21-,25+/m0/s1
InChIKey PBNJSNBIVRKCLB-SQJMNOBHSA-N
Mol Weight 492.6 g/mol
Molecular Formula C28H32N2O6
Exact Mass 492.226037 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID IVT59Hx7pcJ
Name 8-ACETOXY-3-BENZYLOXYCARBONYL-6-[2-(1,3-DIOXOLANYL)]-2,3,4,5,6,7,8,9-OCTAHYDRO-1-H-AZECINO-[5.4-B]-INDOL3
Compound Number 14B
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C28H32N2O6
InChI InChI=1S/C28H32N2O6/c1-19(31)36-25-17-21(27-33-15-16-34-27)11-13-30(28(32)35-18-20-7-3-2-4-8-20)14-12-23-22-9-5-6-10-24(22)29-26(23)25/h2-10,21,25,27,29H,11-18H2,1H3/t21-,25+/m0/s1
InChIKey PBNJSNBIVRKCLB-SQJMNOBHSA-N
Literature Reference Author J.BONJOCH,J.C.FERNANDEZ,N.VALLS
Literature Reference Citation J.ORG.CHEM.,63,7338(1998)
Literature Reference DOI 10.1021/jo980909o
Molecular Weight 492.572 g/mol
Sample ID 27336
Solvent CDCl3