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 |