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(3R/S)-Hydroxytabernanthine
SpectraBase Compound ID 27Eur26IuSH
InChI InChI=1S/C20H26N2O2/c1-3-11-8-12-9-16-18-15(6-7-22(19(11)16)20(12)23)14-5-4-13(24-2)10-17(14)21-18/h4-5,10-12,16,19-21,23H,3,6-9H2,1-2H3/t11-,12-,16+,19+,20+/m0/s1
InChIKey ILKRBNJXPMXUQC-RTNDPOLBSA-N
Mol Weight 326.44 g/mol
Molecular Formula C20H26N2O2
Exact Mass 326.199428 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID BgH8tRR0NSv
Name (3R/S)-Hydroxytabernanthine
Appearance Colorless oil
Copyright Copyright © 2020-2025 John Wiley & Sons, Inc. All Rights Reserved.
Formula C20H26N2O2
InChI InChI=1S/C20H26N2O2/c1-3-11-8-12-9-16-18-15(6-7-22(19(11)16)20(12)23)14-5-4-13(24-2)10-17(14)21-18/h4-5,10-12,16,19-21,23H,3,6-9H2,1-2H3/t11-,12-,16+,19+,20+/m0/s1
InChIKey ILKRBNJXPMXUQC-RTNDPOLBSA-N
Instrument Name JEOL HX-110
Ionization Type EI
Literature Reference DOI 10.1021/np020548e
Molecular Weight 326.440 g/mol
Optical Rotation [a]D = -17 (c = 0.24, CHCl3)
Reported Formula C20H26N2O2
SMILES [nH]1c2c(CCN3[C@]4([C@@]2(C[C@@]([C@]3(O)[H])(C[C@@]4(CC)[H])[H])[H])[H])c2c1cc(cc2)OC
SPLASH splash10-004l-0759000000-4f8285ce15376cb63b7d
Source of Spectrum G4-66-531-3
Wiley ID 1881368