Spektraris NMR
2-[(1R)-1beta,8abeta-Dimethyl-2beta-acetoxy-6-oxo-6,8a-dihydrotetralin-7-yl]-2-methoxypropionic acid
![2-[(1R)-1beta,8abeta-Dimethyl-2beta-acetoxy-6-oxo-6,8a-dihydrotetralin-7-yl]-2-methoxypropionic acid](/nmr/static/nmr/svg/18606.svg)
Common Name: 2-[(1R)-1beta,8abeta-Dimethyl-2beta-acetoxy-6-oxo-6,8a-dihydrotetralin-7-yl]-2-methoxypropionic acid
Synonyms: 2-[(1R)-1beta,8abeta-Dimethyl-2beta-acetoxy-6-oxo-6,8a-dihydrotetralin-7-yl]-2-methoxypropionic acid
CAS Registry Number:
InChI: InChI=1S/C18H24O6/c1-10-15(24-11(2)19)7-6-12-8-14(20)13(9-17(10,12)3)18(4,23-5)16(21)22/h8-10,15H,6-7H2,1-5H3,(H,21,22)/t10-,15-,17+,18?/m0/s1
InChIKey: InChIKey=RDRVOBNXHXPXJL-CGIVQIAASA-N
Formula: C18H24O6
Molecular Weight: 336.380254
Exact Mass: 336.157289
NMR Solvent: CD3OD
MHz:
Calibration:
NMR references: 13C - Xu, J.Q., Hu, L.H. Helv Chim Acta (2008) 91, 951-7
Species:
Notes: Family : Terpenoids, Type : Sesquiterpenoids, Group : Eremophilanes; 13 C Spectrum from Naproc 13: José Luis López-Pérez, Roberto Therón, Esther del Olmo, David Díaz: NAPROC-13: a database for the dereplication of natural product mixtures in bioassay-guided protocols. Bioinformatics 23(23):3256-3257 (2007)
Carbon NMR Peaks
| Position | PPM |
|---|---|
| 1 (CH2) | 29 |
| 2 (CH2) | 33.8 |
| 3 (CH) | 74.7 |
| 4 (CH) | 44.2 |
| 5 (C) | 45.2 |
| 6 (CH) | 153.9 |
| 7 (C) | 138 |
| 8 (C) | 186.6 |
| 9 (CH) | 125.2 |
| 10 (C) | 170.9 |
| 11 (C) | 79.6 |
| 12 (C) | 175.9 |
| 13 (CH3) | 20.7 |
| 14 (CH3) | 20.9 |
| 15 (CH3) | 12.8 |
| 3a (C) | 172.4 |
| 3b (CH3) | 21.3 |
| 11a (CH3) | 51.7 |
