Spektraris NMR
15,16-Epoxy-ent-1(10)-rosen-3-one
Common Name: 15,16-Epoxy-ent-1(10)-rosen-3-one
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C20H30O2/c1-18(2)14-6-5-13-11-19(3,17-12-22-17)9-10-20(13,4)15(14)7-8-16(18)21/h7,13-14,17H,5-6,8-12H2,1-4H3/t13-,14?,17-,19+,20+/m1/s1
InChIKey: InChIKey=TYTDHPJZIKKCGY-DHGPFJGWSA-N
Formula: C20H30O2
Molecular Weight: 302.45175
Exact Mass: 302.22458
NMR Solvent: CDCl3
MHz:
Calibration:
NMR references: 13C - Nagashima, F., Sekiguchi, T., Takaoka, S., Asakawa, Y. Chem Pharm Bull (2004) 52, 556-60
Species:
Notes: Family : Terpenoids, Type : Diterpenoids, Group : Rosanes; 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 (CH) | 115 |
| 2 (CH2) | 38.2 |
| 3 (C) | 214.5 |
| 4 (C) | 46.5 |
| 5 (CH) | 44.5 |
| 6 (CH2) | 18.4 |
| 7 (CH2) | 25.3 |
| 8 (CH) | 31.2 |
| 9 (C) | 37.3 |
| 10 (C) | 148.8 |
| 11 (CH2) | 34.4 |
| 12 (CH2) | 27.9 |
| 13 (C) | 33.4 |
| 14 (CH2) | 37.4 |
| 15 (CH) | 61 |
| 16 (CH2) | 43.4 |
| 17 (CH3) | 19.2 |
| 18 (CH3) | 20.6 |
| 19 (CH3) | 19.4 |
| 20 (CH3) | 20.3 |
