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18-HYDROXY-16-ISORETULINE
SpectraBase Compound ID KVXT44TiWdD
InChI InChI=1S/C21H26N2O3/c1-13(26)23-18-5-3-2-4-17(18)21-7-8-22-11-14(6-9-24)15(10-19(21)22)16(12-25)20(21)23/h2-6,15-16,19-20,24-25H,7-12H2,1H3/b14-6+/t15-,16+,19?,20-,21+/m0/s1
InChIKey IBMZGBUUFLTKEA-GLZZZLSJSA-N
Mol Weight 354.45 g/mol
Molecular Formula C21H26N2O3
Exact Mass 354.194343 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID JK277K6gE8W
Name 18-HYDROXY-16-ISORETULINE
CAS Registry Number 13013-60-0
Compound Number 8B
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C21H26N2O3
InChI InChI=1S/C21H26N2O3/c1-13(26)23-18-5-3-2-4-17(18)21-7-8-22-11-14(6-9-24)15(10-19(21)22)16(12-25)20(21)23/h2-6,15-16,19-20,24-25H,7-12H2,1H3/b14-6+/t15-,16+,19?,20-,21+/m0/s1
InChIKey IBMZGBUUFLTKEA-GLZZZLSJSA-N
Literature Reference Author E.WENKERT,H.T.A.CHEUNG,H.E.GOTTLIEB,M.C.KOCH,A.RABARON,M.M.P LAT
Literature Reference Citation J.ORG.CHEM.,43,1099(1978)
Literature Reference DOI 10.1021/jo00400a017
Molecular Weight 354.449 g/mol
Solvent CDCl3:MEOH=7:1
Source File Reference UWRK2440