Spektraris NMR
4Z,8S,9R,12E,14E)-1-Isopropyl-8,12-dimethyl-18-oxo-oxa-bicyclo[9.3.2]-hexadeca-4,12,14-trien-2-yl acetate
![4Z,8S,9R,12E,14E)-1-Isopropyl-8,12-dimethyl-18-oxo-oxa-bicyclo[9.3.2]-hexadeca-4,12,14-trien-2-yl acetate](/nmr/static/nmr/svg/17998.svg)
Common Name: 4Z,8S,9R,12E,14E)-1-Isopropyl-8,12-dimethyl-18-oxo-oxa-bicyclo[9.3.2]-hexadeca-4,12,14-trien-2-yl acetate
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C22H32O4/c1-15(2)18-10-8-16(3)9-13-20(25-17(4)23)22(5)14-6-7-19(12-11-18)21(24)26-22/h7-8,10,15,20H,6,9,11-14H2,1-5H3/b16-8+,18-10+/t20-,22+/m1/s1
InChIKey: InChIKey=PSJHYYPVPGHZAJ-YNIMSSNGSA-N
Formula: C22H32O4
Molecular Weight: 360.487914
Exact Mass: 360.23006
NMR Solvent: CDCl3
MHz:
Calibration:
NMR references: 13C - Gross, H., Wright, A.D., Beil, W., Konig, G.M. Org Biomol Chem (2004) 2, 1133-8
Species:
Notes: Family : Terpenoids, Type : Diterpenoids, Group : Cembranes; 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 (C) | 145.1 |
| 2 (CH2) | 26.6 |
| 3 (CH2) | 27.1 |
| 4 (C) | 133 |
| 5 (CH) | 140.7 |
| 6 (CH2) | 34.5 |
| 7 (CH2) | 37.7 |
| 8 (C) | 82.3 |
| 9 (CH) | 69.1 |
| 10 (CH2) | 24.8 |
| 11 (CH2) | 31.9 |
| 12 (C) | 132.9 |
| 13 (CH) | 120.7 |
| 14 (CH) | 119.4 |
| 15 (CH) | 35.8 |
| 16 (CH3) | 22.3 |
| 17 (CH3) | 22.8 |
| 18 (C) | 166.7 |
| 19 (CH3) | 21.1 |
| 20 (CH3) | 18.6 |
| 9a (C) | 170.1 |
| 9b (CH3) | 23.7 |
