Spektraris NMR
(1R)-1beta,8abeta-Dimethyl-2beta-acetoxy-7-hydroxytetralin-6(8aH)-one
Common Name: (1R)-1beta,8abeta-Dimethyl-2beta-acetoxy-7-hydroxytetralin-6(8aH)-one
Synonyms: (1R)-1beta,8abeta-Dimethyl-2beta-acetoxy-7-hydroxytetralin-6(8aH)-one
CAS Registry Number:
InChI: InChI=1S/C14H18O4/c1-8-13(18-9(2)15)5-4-10-6-11(16)12(17)7-14(8,10)3/h6-8,13,17H,4-5H2,1-3H3/t8-,13-,14+/m0/s1
InChIKey: InChIKey=RGZMLCYGPLYWJR-ULCPSODYSA-N
Formula: C14H18O4
Molecular Weight: 250.290856
Exact Mass: 250.120509
NMR Solvent: DMSO-d6
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) | 27.2 |
| 2 (CH2) | 32.4 |
| 3 (CH) | 72 |
| 4 (CH) | 43.5 |
| 5 (C) | 43.3 |
| 6 (CH) | 125.3 |
| 7 (C) | 146.8 |
| 8 (C) | 181.5 |
| 9 (CH) | 122.6 |
| 10 (C) | 169.3 |
| 14 (CH3) | 21.1 |
| 15 (CH3) | 12.1 |
| 3a (C) | 170.1 |
| 3b (CH3) | 21 |
