Spektraris NMR
(4aR)-3-Acetyl-4abeta,5beta-dimethyl-6beta-hydroxy-5,6,7,8-tetrahydronaphthalene-2(4aH)-one
Common Name: (4aR)-3-Acetyl-4abeta,5beta-dimethyl-6beta-hydroxy-5,6,7,8-tetrahydronaphthalene-2(4aH)-one
Synonyms: (4aR)-3-Acetyl-4abeta,5beta-dimethyl-6beta-hydroxy-5,6,7,8-tetrahydronaphthalene-2(4aH)-one
CAS Registry Number:
InChI: InChI=1S/C14H18O3/c1-8-12(16)5-4-10-6-13(17)11(9(2)15)7-14(8,10)3/h6-8,12,16H,4-5H2,1-3H3/t8-,12-,14+/m0/s1
InChIKey: InChIKey=COUZLISOMSOQSA-ORUWWINDSA-N
Formula: C14H18O3
Molecular Weight: 234.291451
Exact Mass: 234.125594
NMR Solvent: CDCl3
MHz:
Calibration:
NMR references: 13C - Xu, J.Q., Hu, L.H. Helv Chim Acta (2009) 92, 357-61
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) | 27.6 |
| 2 (CH2) | 35.9 |
| 3 (CH) | 71.3 |
| 4 (CH) | 43.4 |
| 5 (C) | 44.3 |
| 6 (CH) | 160.1 |
| 7 (C) | 136.2 |
| 8 (C) | 184.1 |
| 9 (CH) | 125.1 |
| 10 (C) | 168.7 |
| 11 (C) | 199.7 |
| 13 (CH3) | 31.2 |
| 14 (CH3) | 20.4 |
| 15 (CH3) | 12.8 |
