| SpectraBase Spectrum ID |
2XgQP8e9tHl |
| Name |
trans-1.alpha.-Acetyl-4a-(2,3-dimethoxyphenyl)-2-methyl-6-oxo-1,2,3,4,4a,5,6,7,8,8a-decahydroisoquinoline |
| CAS Registry Number |
83999-60-4 |
| Comments |
Less than 3 mono-isotopic peaks |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C20H27NO4 |
| InChI |
InChI=1S/C20H27NO4/c1-13(22)18-15-9-8-14(23)12-20(15,10-11-21(18)2)16-6-5-7-17(24-3)19(16)25-4/h5-7,15,18H,8-12H2,1-4H3/t15-,18+,20-/m1/s1 |
| InChIKey |
NQAAHNUEDWUBRV-MOXGXCLJSA-N |
| Molecular Weight |
345.439 g/mol |
| SMILES |
[C@]12([C@@]([C@](C(=O)C)(N(CC2)C)[H])(CCC(C1)=O)[H])c1c(c(OC)ccc1)OC |
| SPLASH |
splash10-0udi-0009000000-1221dc5935fe5ec7a1ad |
| Source of Spectrum |
J-48-235-0 |
| Synonyms |
(1R,4aR,8aS)-1-acetyl-4a-(2,3-dimethoxyphenyl)-2-methyloctahydro-6(2H)-isoquinolinone |
| Wiley ID |
1338720 |
