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.delta.(4a,10b),.delta.(8)-5-[(Carboethoxy)methyl]-8-[1,1-(ethylenedioxy)eth-1-yl]-1-oxodecahydrophenanthridine
SpectraBase Compound ID 6F0R347NsRE
InChI InChI=1S/C21H29NO5/c1-3-25-19(24)13-22-12-14-11-15(21(2)26-9-10-27-21)7-8-16(14)20-17(22)5-4-6-18(20)23/h7,14,16H,3-6,8-13H2,1-2H3/t14-,16-/m0/s1
InChIKey MRKPJBBVBODUCQ-HOCLYGCPSA-N
Mol Weight 375.47 g/mol
Molecular Formula C21H29NO5
Exact Mass 375.204573 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 4POiSm0vMLC
Name DELTA(4A,10B),DELTA(8)-5-[(CARBOETHOXY)-METHYL]-8-[1,1-(ETHYLENEDIOXY)-ETH-1-YL]-1-OXO-DECAHYDRO-PHENANTHRIDINE
CAS Registry Number 78890-95-6
Compound Number 36
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C21H29NO5
InChI InChI=1S/C21H29NO5/c1-3-25-19(24)13-22-12-14-11-15(21(2)26-9-10-27-21)7-8-16(14)20-17(22)5-4-6-18(20)23/h7,14,16H,3-6,8-13H2,1-2H3/t14-,16-/m0/s1
InChIKey MRKPJBBVBODUCQ-HOCLYGCPSA-N
Literature Reference Author Y.L.CHEN,P.S.MARIANO,G.M.LITTLE,D.O'BRIEN,P.L.HUESMANN
Literature Reference Citation J.ORG.CHEM.,46,4643(1981)
Literature Reference DOI 10.1021/jo00336a002
Molecular Weight 375.465 g/mol
Solvent CDCl3
Source File Reference UWED7091