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2,3-(R,R)-11b-(S)-Dehydroemetine

View entire compound with spectra: 1 MS (GC)

2,3-(R,R)-11b-(S)-Dehydroemetine
SpectraBase Compound ID EuBaVASL5h9
InChI InChI=1S/C29H38N2O4/c1-6-18-17-31-10-8-20-14-27(33-3)29(35-5)16-23(20)25(31)12-21(18)11-24-22-15-28(34-4)26(32-2)13-19(22)7-9-30-24/h13-16,18,21,25H,6-12,17H2,1-5H3/t18-,21-,25-/m0/s1
InChIKey FBRKYRSUSJWLHH-HMHJJOSWSA-N
Mol Weight 478.6 g/mol
Molecular Formula C29H38N2O4
Exact Mass 478.283158 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID Wkyeu4r7Q
Name 2,3-(R,R)-11b-(S)-Dehydroemetine
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C29H38N2O4
InChI InChI=1S/C29H38N2O4/c1-6-18-17-31-10-8-20-14-27(33-3)29(35-5)16-23(20)25(31)12-21(18)11-24-22-15-28(34-4)26(32-2)13-19(22)7-9-30-24/h13-16,18,21,25H,6-12,17H2,1-5H3/t18-,21-,25-/m0/s1
InChIKey FBRKYRSUSJWLHH-HMHJJOSWSA-N
Molecular Weight 478.633 g/mol
SMILES [C@@]12(N(CCc3cc(c(cc23)OC)OC)C[C@@]([C@](C1)(CC=1c2cc(OC)c(cc2CCN1)OC)[H])(CC)[H])[H]
SPLASH splash10-004l-0090600000-1d17482d932ce925d89e
Source of Spectrum QF-10-2728-26
Wiley ID 1559470