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7-ALPHA-HYDROXY-7H-MITRAGYNINE

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7-ALPHA-HYDROXY-7H-MITRAGYNINE
SpectraBase Compound ID 5VAIJwkr5Nj
InChI InChI=1S/C23H30N2O5/c1-5-14-12-25-10-9-23(27)20-17(7-6-8-19(20)29-3)24-21(23)18(25)11-15(14)16(13-28-2)22(26)30-4/h6-8,13-15,18,27H,5,9-12H2,1-4H3/b16-13+/t14-,15+,18+,23+/m1/s1
InChIKey RYENLSMHLCNXJT-CYXFISRXSA-N
Mol Weight 414.5 g/mol
Molecular Formula C23H30N2O5
Exact Mass 414.215472 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID EQYIVeISvDB
Name 7-HYDROXY-7H-MITRAGYNINE
Compound Number 12
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C23H30N2O5
InChI InChI=1S/C23H30N2O5/c1-5-14-12-25-10-9-23(27)20-17(7-6-8-19(20)29-3)24-21(23)18(25)11-15(14)16(13-28-2)22(26)30-4/h6-8,13-15,18,27H,5,9-12H2,1-4H3/b16-13+/t14-,15+,18+,23+/m1/s1
InChIKey RYENLSMHLCNXJT-CYXFISRXSA-N
Literature Reference Author H.TAKAYAMA,H.ISHIKAWA,M.KURIHARA,M.KITAJIMA,N.AIMI,D.PONGLUX ,F.KOYAMA,K.MATSUMOT
Literature Reference Citation J.MED.CHEM.,45,1949(2002)
Literature Reference DOI 10.1021/jm010576e
Molecular Weight 414.502 g/mol
Sample ID 64360
Solvent CDCl3