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(4aR,10bR)-N-(2,2-Diethoxyethyl)-8,9-methylenedioxy-1,4,4a,5,6,10b-hexahydrophenanthridine
SpectraBase Compound ID EVn49S60HTZ
InChI InChI=1S/C20H27NO5/c1-3-23-19(24-4-2)12-21-11-14-9-16-17(26-13-25-16)10-15(14)20(22)8-6-5-7-18(20)21/h5-6,9-10,18-19,22H,3-4,7-8,11-13H2,1-2H3/t18-,20-/m1/s1
InChIKey NHVFTQKGYOXTCM-UYAOXDASSA-N
Mol Weight 361.44 g/mol
Molecular Formula C20H27NO5
Exact Mass 361.188923 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 1GYiiSSbptD
Name (4aR,10bR)-N-(2,2-Diethoxyethyl)-8,9-methylenedioxy-1,4,4a,5,6,10b-hexahydrophenanthridine
Alternate Name(s) (4aR,11bR)-5-(2,2-diethoxyethyl)-1,4,4a,5,6,11b-hexahydro-[1,3]dioxolo[4,5-j]phenanthridin-11b-ol
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C20H27NO5
InChI InChI=1S/C20H27NO5/c1-3-23-19(24-4-2)12-21-11-14-9-16-17(26-13-25-16)10-15(14)20(22)8-6-5-7-18(20)21/h5-6,9-10,18-19,22H,3-4,7-8,11-13H2,1-2H3/t18-,20-/m1/s1
InChIKey NHVFTQKGYOXTCM-UYAOXDASSA-N
Literature Reference DOI 10.1002/adsc.200404102
Molecular Weight 361.438 g/mol
SMILES O[C@@]12c3cc4c(cc3CN(CC(OCC)OCC)[C@@]2(CC=CC1)[H])OCO4
SPLASH splash10-0a4i-0091000000-e80d67fde478b8434bdf
Source of Spectrum ASC-346-1349-25
Wiley ID 1767491