Spektraris NMR
3a-Hydroxy-7-oxo- 15,16-epoxyfriedolabda-5,13 (16),14-trien
Common Name: 3a-Hydroxy-7-oxo- 15,16-epoxyfriedolabda-5,13 (16),14-trien
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C20H28O3/c1-13-17(21)11-16-15(5-6-18(22)19(16,2)3)20(13,4)9-7-14-8-10-23-12-14/h8,10-13,15,18,22H,5-7,9H2,1-4H3/t13-,15+,18+,20+/m0/s1
InChIKey: InChIKey=KRLGALLDUXJJQN-ASCUOWJESA-N
Formula: C20H28O3
Molecular Weight: 316.435274
Exact Mass: 316.203845
NMR Solvent: CDCl3
MHz:
Calibration:
NMR references: 13C - Siems, K., Jakupovic, J., Castro, V., Poveda, L. Phytochemistry (1996) 41, 851-3
Species:
Notes: Family : Terpenoids, Type : Diterpenoids, Group : Halimanes; 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 |
| 2 (CH2) | 29.7 |
| 3 (CH) | 75.7 |
| 4 (C) | 42.9 |
| 5 (C) | 167.3 |
| 6 (CH) | 122.4 |
| 7 (C) | 202.7 |
| 8 (CH) | 47.7 |
| 9 (C) | 40.6 |
| 10 (CH) | 40.7 |
| 11 (CH2) | 18.9 |
| 12 (CH2) | 23.9 |
| 13 (C) | 124.6 |
| 14 (CH) | 110.7 |
| 15 (CH) | 142.9 |
| 16 (CH) | 138.4 |
| 17 (CH3) | 8.1 |
| 18 (CH3) | 23.9 |
| 19 (CH3) | 21.8 |
| 20 (CH3) | 16.8 |
