Spektraris NMR
12-n-Butoxy-3β-hydroxyambroxide
Common Name: 12-n-Butoxy-3β-hydroxyambroxide
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C20H36O3/c1-6-7-12-22-17-13-15-19(4)10-9-16(21)18(2,3)14(19)8-11-20(15,5)23-17/h14-17,21H,6-13H2,1-5H3/t14-,15+,16-,17?,19-,20+/m0/s1
InChIKey: InChIKey=XOGBSLCEUHZFAB-YKYKTHHOSA-N
Formula: C20H36O3
Molecular Weight: 324.4988
Exact Mass: 324.266445
NMR Solvent: CDCl3
MHz:
Calibration:
NMR references: 13C - Hanson, J.R., Truneh, A. Phytochemistry (1996) 42, 1021-3
Species:
Notes: Family : Terpenoids, Type : Diterpenoids, Group : Labdanes; 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) | 37.9 |
| 2 (CH2) | 27.1 |
| 3 (CH) | 79 |
| 4 (C) | 38.7 |
| 5 (CH) | 55.7 |
| 6 (CH2) | 20.2 |
| 7 (CH2) | 39.8 |
| 8 (C) | 80.9 |
| 9 (CH) | 60.1 |
| 10 (C) | 35.8 |
| 11 (CH2) | 30.8 |
| 12 (CH) | 104.4 |
| 17 (CH3) | 23.4 |
| 18 (CH3) | 28.1 |
| 19 (CH3) | 15.2 |
| 20 (CH3) | 15.1 |
| 12a (CH2) | 68.2 |
| 12b (CH2) | 31.9 |
| 12c (CH2) | 19.4 |
| 12d (CH3) | 13.9 |
