Spektraris NMR
ent-15,16-Epoxy-20-hydroxy-2-oxo-3,13(16),14-clerodatrien
Common Name: ent-15,16-Epoxy-20-hydroxy-2-oxo-3,13(16),14-clerodatrien
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C20H28O3/c1-14-4-7-19(3)15(2)10-17(22)11-18(19)20(14,13-21)8-5-16-6-9-23-12-16/h6,9-10,12,14,18,21H,4-5,7-8,11,13H2,1-3H3/t14-,18+,19+,20-/m1/s1
InChIKey: InChIKey=SFRQLQDPJHKXDQ-QRKUABHPSA-N
Formula: C20H28O3
Molecular Weight: 316.435274
Exact Mass: 316.203845
NMR Solvent: CD3OD
MHz:
Calibration:
NMR references: 13C - El Babili, F., Moulis, C., Bon, M., Respaud, M.J., Fouraste, I. Phytochemistry (1998) 48, 165-9
Species:
Notes: Family : Terpenoids, Type : Diterpenoids, Group : Clerodanes; 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 (CH2) | 37.7 |
| 2 (C) | 203.6 |
| 3 (CH) | 125.6 |
| 4 (C) | 176.3 |
| 5 (C) | 41.4 |
| 6 (CH2) | 37.1 |
| 7 (CH2) | 28 |
| 8 (CH) | 37 |
| 9 (C) | 43.8 |
| 10 (CH) | 47.2 |
| 11 (CH2) | 33.4 |
| 12 (CH2) | 18.4 |
| 13 (C) | 126.6 |
| 14 (CH) | 111.9 |
| 15 (CH) | 144 |
| 16 (CH) | 139.8 |
| 17 (CH3) | 16.8 |
| 18 (CH3) | 19.3 |
| 19 (CH3) | 18.1 |
| 20 (CH2) | 65.5 |
