Spektraris NMR
14(R)-Hydroxy-7b-isovaleroyloxyoplop-8(10)-en-2-one
Common Name: 14(R)-Hydroxy-7b-isovaleroyloxyoplop-8(10)-en-2-one
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C20H32O4/c1-10(2)7-18(23)24-17-9-14(11(3)4)20-15(12(17)5)8-16(22)19(20)13(6)21/h10-11,13-15,17,19-21H,5,7-9H2,1-4,6H3/t13-,14+,15+,17-,19+,20+/m1/s1
InChIKey: InChIKey=RJNJFKDVPIFVPQ-WCJJETLUSA-N
Formula: C20H32O4
Molecular Weight: 336.466442
Exact Mass: 336.23006
NMR Solvent: CDCl3
MHz:
Calibration:
NMR references: 13C - Yaoita, Y., Suzuki, N., Kikuchi, M. Chem Pharm Bull (2001) 49, 645-8
Species:
Notes: Family : Terpenoids, Type : Sesquiterpenoids, Group : Oplopanes; 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) | 42.7 |
| 2 (CH2) | 42.4 |
| 3 (C) | 221.2 |
| 4 (CH) | 68.4 |
| 5 (CH) | 60.1 |
| 6 (CH) | 49.2 |
| 7 (CH) | 44.2 |
| 8 (CH2) | 31.1 |
| 9 (CH) | 73.7 |
| 10 (C) | 145.7 |
| 11 (CH) | 28.3 |
| 12 (CH3) | 21.4 |
| 13 (CH3) | 15.3 |
| 14 (CH2) | 110.3 |
| 15 (CH3) | 18.9 |
| 9a (C) | 172.1 |
| 9b (CH2) | 43.9 |
| 9c (CH) | 26 |
| 9d (CH3) | 22.3 |
| 9ca (CH3) | 22.4 |
