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Deoxydihydrothebainone, cyclic ethylene acetal

View entire compound with spectra: 1 NMR, 1 FTIR, and 1 Raman

Deoxydihydrothebainone, cyclic ethylene acetal
SpectraBase Compound ID E5xGDZSqvab
InChI InChI=1S/C20H27NO3/c1-21-8-7-19-13-20(23-9-10-24-20)6-5-16(19)18(21)11-14-3-4-15(22-2)12-17(14)19/h3-4,12,16,18H,5-11,13H2,1-2H3/t16-,18+,19-/m0/s1
InChIKey YBAAMDKMCNQZGQ-UHOSZYNNSA-N
Mol Weight 329.44 g/mol
Molecular Formula C20H27NO3
Exact Mass 329.199094 g/mol

Transmission Infrared (IR) Spectrum

Transmission Infrared (IR) Spectrum

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SpectraBase Spectrum ID LTvZ08K7SA
Name DEOXYDIHYDROTHEBAINONE, CYCLIC ETHYLENE ACETAL
Source of Sample Y. K. Sawa, Shionogi Company, Osaka, Japan
Copyright Copyright © 1980, 1981-2025 John Wiley & Sons, Inc. All Rights Reserved.
Formula C20H27NO3
InChI InChI=1S/C20H27NO3/c1-21-8-7-19-13-20(23-9-10-24-20)6-5-16(19)18(21)11-14-3-4-15(22-2)12-17(14)19/h3-4,12,16,18H,5-11,13H2,1-2H3/t16-,18+,19-/m0/s1
InChIKey YBAAMDKMCNQZGQ-UHOSZYNNSA-N
Literature Reference Abstract-Chemical Abstracts= 56, 11637(1962)
Melting Point 96-98C
Molecular Weight 329.440002
Optical Properties Optical Rotation= (25C) -32.5 +/- 2 DEG (c=1.046, ALCOHOL)
Synonyms SPIRO/1,3-DIOXOLANE-2,3PR/2PRH/- /4H-10,4A/IMINOETHANOPHENANTHRENE/, 6PR-METHOXY-11PR-METHYL-1PR,9PR,10PR,- 10APR-TETRAHYDRO-, MORPHINAN, 3-METHOXY-N-METHYL- 6-OXO-, CYCLIC ETHYLENE ACETAL THEBAINONE, DEOXYDIHYDRO-, CYCLIC ETHYLENE ACETAL
Technique KBr WAFER