Spektraris NMR
9a,13R: 15,16-bisepoxy-15a-hydroxy-3-oxo-labdan-6b, 19-olide
Common Name: 9a,13R: 15,16-bisepoxy-15a-hydroxy-3-oxo-labdan-6b, 19-olide
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C20H28O6/c1-11-8-12-15-17(2,5-4-13(21)18(15,3)16(23)25-12)20(11)7-6-19(26-20)9-14(22)24-10-19/h11-12,14-15,22H,4-10H2,1-3H3/t11-,12-,14-,15-,17+,18+,19+,20-/m1/s1
InChIKey: InChIKey=NHOLPDNRVILGOF-RBWJHFQSSA-N
Formula: C20H28O6
Molecular Weight: 364.433489
Exact Mass: 364.188589
NMR Solvent: CDCl3
MHz:
Calibration:
NMR references: 13C - Karioti, A., Heilmann, J., Skaltsa, H. Phytochemistry (2005) 66, 1060-6
Species:
Notes: Family : Terpenoids, Type : Diterpenoids, Group : Labdanes; 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) | 29.1 |
| 2 (CH2) | 34.1 |
| 3 (C) | 206.2 |
| 4 (C) | 53.6 |
| 5 (CH) | 47.4 |
| 6 (CH) | 74.6 |
| 7 (CH2) | 31.4 |
| 8 (CH) | 31.6 |
| 9 (C) | 90.5 |
| 10 (C) | 39.4 |
| 11 (CH2) | 29.3 |
| 12 (CH2) | 34.4 |
| 13 (C) | 90.9 |
| 14 (CH2) | 45.9 |
| 15 (CH) | 99.4 |
| 16 (CH2) | 77.1 |
| 17 (CH3) | 17.1 |
| 18 (CH3) | 20.5 |
| 19 (C) | 174.2 |
| 20 (CH3) | 19.1 |
