benzoic acid [(6aR,7S,8S,10aR,10bS)-8-(benzoyloxy)-6a-chloro-3-keto-5,6,7,8,9,10,10a,10b-octahydro-1H-oxazolo[4,3-a]isoquinolin-7-yl] ester
Compound with spectra: 1 NMR
![benzoic acid [(6aR,7S,8S,10aR,10bS)-8-(benzoyloxy)-6a-chloro-3-keto-5,6,7,8,9,10,10a,10b-octahydro-1H-oxazolo[4,3-a]isoquinolin-7-yl] ester](/api/compound/K79DnpVMCLs.png?ph=true&h=300&w=458 "benzoic acid [(6aR,7S,8S,10aR,10bS)-8-(benzoyloxy)-6a-chloro-3-keto-5,6,7,8,9,10,10a,10b-octahydro-1H-oxazolo[4,3-a]isoquinolin-7-yl] ester")
| SpectraBase Compound ID | K79DnpVMCLs |
|---|---|
| InChI | InChI=1S/C25H24ClNO6/c26-25-13-14-27-19(15-31-24(27)30)18(25)11-12-20(32-22(28)16-7-3-1-4-8-16)21(25)33-23(29)17-9-5-2-6-10-17/h1-10,18-21H,11-15H2/t18-,19-,20+,21+,25-/m1/s1 |
| InChIKey | KPKSTSCGHVSCSH-RPMNLZPZSA-N |
| Mol Weight | 469.92 g/mol |
| Molecular Formula | C25H24ClNO6 |
| Exact Mass | 469.129215 g/mol |
| Enantiomer InChIKey | KPKSTSCGHVSCSH-JJQOCIJLSA-N |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
|---|---|
| Solvent | CDCl3 |
ANXHBWSSMSRHGI-KHMSYKNRSA-N
benzoic acid [(6aR,7S,8S,10aR,10bS)-8-(benzoyloxy)-6a-hydroxy-3-keto-5,6,7,8,9,10,10a,10b-octahydro-1H-oxazolo[4,3-a]isoquinolin-7-yl] ester
QUJBGUDTBZUWCA-KHMSYKNRSA-N
17.alpha.,25-Dihydroxy-5.alpha.-cholestan-3.beta.-yl acetate
(ANTI)-2,2,6,8-TETRAMETHYL-7,9,10-TRIOXATRICYCLO-[6.2.2.0(1,6)]-DODECAN-5-YL-ACETATE
(SYN)-2,2,6,8-TETRAMETHYL-7,9,10-TRIOXATRICYCLO-[6.2.2.0(1,6)]-DODECAN-5-YL-ACETATE
VERNCHINILIDE_E;8-ALPHA-(3-CHLORO-2-HYDROXY-2-METHYLPROPANOYLOXY)-10-ALPHA-HYDROXY-1-DESOXYHIRSUTINOLIDE_13-O-ACETATE
Ethyl 3-methyl-4-oxo-2,6-methano-2,3-dimethyl-3,4,5,6-tetrahydro-8,10-diiodobenzo[2,1-g]-2H-1,3-oxazocine-5-carboxylate
| Title | Journal or Book | Year |
|---|---|---|
| Elucidation of the stereochemistry of octahydroisoquinoline derivatives by NMR spectroscopy | Magnetic Resonance in Chemistry | 1999 |