Spektraris NMR
7,8-Epoxy-3,12-dolabelladien-14-one
Common Name: 7,8-Epoxy-3,12-dolabelladien-14-one
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C20H30O2/c1-13(2)15-12-17(21)19(4)10-8-14(3)6-7-18-20(5,22-18)11-9-16(15)19/h8,12-13,16,18H,6-7,9-11H2,1-5H3/b14-8+/t16-,18+,19+,20+/m0/s1
InChIKey: InChIKey=UOOSOJLICIHJEA-KMOKFDNISA-N
Formula: C20H30O2
Molecular Weight: 302.45175
Exact Mass: 302.22458
NMR Solvent: CDCl3
MHz:
Calibration:
NMR references: 13C - Govindan, M., Govindan, G.N., Kingston, D.G. J Nat Prod (1995) 58, 1174-84
Species:
Notes: Family : Terpenoids, Type : Diterpenoids, Group : Dolabellanes; 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) | 53.3 |
| 2 (CH2) | 38.02 |
| 3 (CH) | 123 |
| 4 (C) | 136.2 |
| 5 (CH2) | 37.77 |
| 6 (CH2) | 23.38 |
| 7 (CH) | 67.34 |
| 8 (C) | 60.42 |
| 9 (CH2) | 36.17 |
| 10 (CH2) | 27.2 |
| 11 (CH) | 48.03 |
| 12 (C) | 189.9 |
| 13 (CH) | 123.9 |
| 14 (C) | 213 |
| 15 (CH3) | 15.52 |
| 16 (CH3) | 16.15 |
| 17 (CH3) | 17.38 |
| 18 (CH) | 29.53 |
| 19 (CH3) | 22.6 |
| 20 (CH3) | 21.57 |
