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(-)-3,6alpha-DIHYDROXY-N-METHYLMORPHINAN, HEMIHYDRATE

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(-)-3,6alpha-DIHYDROXY-N-METHYLMORPHINAN, HEMIHYDRATE
SpectraBase Compound ID w3JNPL3g6H
InChI InChI=1S/2C17H23NO2.H2O/c2*1-18-7-6-17-10-13(20)4-5-14(17)16(18)8-11-2-3-12(19)9-15(11)17;/h2*2-3,9,13-14,16,19-20H,4-8,10H2,1H3;1H2/t2*13-,14-,16+,17-;/m00./s1
InChIKey KGWUPHQXGONYGI-MDADIAFQSA-N
Mol Weight 282.38 g/mol
Molecular Formula C17H23NO2·½H2O
Exact Mass 282.178161 g/mol

Transmission Infrared (IR) Spectrum

Transmission Infrared (IR) Spectrum

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SpectraBase Spectrum ID HVuT4qzHShS
Name (-)-3,6alpha-DIHYDROXY-N-METHYLMORPHINAN, HEMIHYDRATE
Source of Sample Y. K. Sawa, Shionogi Company, Osaka, Japan
Copyright Copyright © 1980, 1981-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C34H48N2O5
InChI InChI=1S/2C17H23NO2.H2O/c2*1-18-7-6-17-10-13(20)4-5-14(17)16(18)8-11-2-3-12(19)9-15(11)17;/h2*2-3,9,13-14,16,19-20H,4-8,10H2,1H3;1H2/t2*13-,14-,16+,17-;/m00./s1
InChIKey KGWUPHQXGONYGI-MDADIAFQSA-N
Literature Reference Abstract-Chemical Abstracts= 62, 596(1965)
Melting Point 211-212C
Molecular Weight 564.767029
Optical Properties Optical Rotation= (23.5C) -33.1 +/- 1 DEG (c=1.997, ALCOHOL)
Synonyms MORPHINAN, 3,6A-DIHYDROXY-N- METHYL-, /MINUS/-, HEMIHYDRATE IMINOETHANOPHENANTHRENE-3,6-DIOL, 2H-10,4A-, 1,3,4,9,10,TRANS-10A- HEXAHYDRO-11-METHYL-, HEMIHYDRATE
Technique KBr WAFER