Spektraris NMR
Diterpene EE-II Methyl ester
Common Name: Diterpene EE-II Methyl ester
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C21H34O4/c1-14(2)6-5-7-15(3)18-9-8-16(13-22)21(18)11-10-17(19(23)12-21)20(24)25-4/h6,10,15-16,18-19,22-23H,5,7-9,11-13H2,1-4H3/t15-,16-,18-,19+,21+/m1/s1
InChIKey: InChIKey=JOXPUWOFBOGEHX-OVIIUWAXSA-N
Formula: C21H34O4
Molecular Weight: 350.493059
Exact Mass: 350.24571
NMR Solvent: CDCl3
MHz:
Calibration:
NMR references: 13C - Foster, P.G., Ghisalberti, E.L., Jefferies, P.R. Aust J Chem (1986) 39, 2111
Species:
Notes: Family : Terpenoids, Type : Diterpenoids, Group : Viscidanes; 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) | 46.7 |
| 2 (CH2) | 37.4 |
| 3 (CH) | 65 |
| 4 (C) | 132.4 |
| 5 (CH) | 141.8 |
| 6 (CH2) | 31.8 |
| 7 (CH) | 48.6 |
| 8 (CH2) | 24.8 |
| 9 (CH2) | 26.1 |
| 10 (CH) | 51.9 |
| 11 (CH) | 33.6 |
| 12 (CH2) | 35.7 |
| 13 (CH2) | 25.7 |
| 14 (CH) | 125 |
| 15 (C) | 131.5 |
| 16 (CH3) | 17.7 |
| 17 (CH3) | 25.7 |
| 18 (CH3) | 20.3 |
| 19 (CH2) | 63.7 |
| 20 (C) | 167.8 |
| 20a (CH3) | 51.9 |
