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Acetyl-Seneciphylline
SpectraBase Compound ID 76Gk1tgDaP1
InChI InChI=1S/C20H25NO6/c1-5-14-10-12(2)20(4,27-13(3)22)19(24)25-11-15-6-8-21-9-7-16(17(15)21)26-18(14)23/h5-6,16-17H,2,7-11H2,1,3-4H3/b14-5-/t16-,17-,20-/m1/s1
InChIKey CTCKXBIRQMSUIU-BYVYPXNKSA-N
Mol Weight 375.42 g/mol
Molecular Formula C20H25NO6
Exact Mass 375.168188 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID ExqVqwhkTjB
Name Acetyl-Seneciphylline
Carrier Gas Helium
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C20H25NO6
GC Oven Program Oven temp 280oC
InChI InChI=1S/C20H25NO6/c1-5-14-10-12(2)20(4,27-13(3)22)19(24)25-11-15-6-8-21-9-7-16(17(15)21)26-18(14)23/h5-6,16-17H,2,7-11H2,1,3-4H3/b14-5-/t16-,17-,20-/m1/s1
InChIKey CTCKXBIRQMSUIU-BYVYPXNKSA-N
Instrument Name HP 6980-5972
Ionization Type EI
Literature Reference DOI 10.1002/cbdv.202200603
Molecular Weight 375.421 g/mol
SMILES C1C[C@@]2([C@@]3(N1CC=C3COC([C@@](C(C\C(C(O2)=O)=C\C)=C)(OC(C)=O)C)=O)[H])[H]
SPLASH splash10-000f-8900000000-bef1cbc7e8d1c3ade03f
Source of Spectrum CBD-19-SM3-Acetyl-Seneciphylline
Wiley ID 1880596