| SpectraBase Spectrum ID |
BOVk7BQOYjY |
| Name |
Cocaine, 3',4',5'-trimethoxy- |
| Alternate Name(s) |
Methyl (1S,2S,3R,5R)-8-methyl-3-((3,4,5-trimethoxybenzoyl)oxy)-8-azabicyclo[3.2.1]octane-2-carboxylate |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C20H27NO7 |
| InChI |
InChI=1S/C20H27NO7/c1-21-12-6-7-13(21)17(20(23)27-5)14(10-12)28-19(22)11-8-15(24-2)18(26-4)16(9-11)25-3/h8-9,12-14,17H,6-7,10H2,1-5H3/t12-,13+,14-,17+/m1/s1 |
| InChIKey |
QXCDXRYKFKIOPT-OEUWWYETSA-N |
| Molecular Weight |
393.436 g/mol |
| SMILES |
C1C[C@]2([C@@]([C@@](C[C@@]1(N2C)[H])(OC(=O)c1cc(c(c(c1)OC)OC)OC)[H])(C(OC)=O)[H])[H] |
| SPLASH |
splash10-001i-9700000000-89473f407f3b9edfa76a |
| Source of Spectrum |
SWG-33-2465-0 |
| Wiley ID |
1809711 |
