Spektraris NMR
8,9-Epoxy-15,16-dinorlabdane-13-one
Common Name: 8,9-Epoxy-15,16-dinorlabdane-13-one
Synonyms: 8,9-Epoxy-15,16-dinorlabdane-13-one
CAS Registry Number:
InChI: InChI=1S/C18H30O2/c1-13(19)7-12-18-16(4)10-6-9-15(2,3)14(16)8-11-17(18,5)20-18/h14H,6-12H2,1-5H3/t14-,16-,17+,18-/m0/s1
InChIKey: InChIKey=VFBMEZSZHKWYOJ-OWLYRPNTSA-N
Formula: C18H30O2
Molecular Weight: 278.430279
Exact Mass: 278.22458
NMR Solvent: CDCl3
MHz:
Calibration:
NMR references: 13C - Basabe, P., Bodero, O., Marcos, I.S., Diez, D., Roman, M.d., Bianco, A., Urones, J.G. Tetrahedron (2007) 63, 11838-43
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) | 34.8 |
| 2 (CH2) | 17.3 |
| 3 (CH2) | 41.6 |
| 4 (C) | 33.1 |
| 5 (CH) | 42.5 |
| 6 (CH2) | 18.6 |
| 7 (CH2) | 29.2 |
| 8 (C) | 63.2 |
| 9 (C) | 71.1 |
| 10 (C) | 38.8 |
| 11 (CH2) | 29.2 |
| 12 (CH2) | 40.8 |
| 13 (C) | 208.9 |
| 16 (CH3) | 30.3 |
| 17 (CH3) | 22.1 |
| 18 (CH3) | 33.7 |
| 19 (CH3) | 21.6 |
| 20 (CH3) | 17.3 |
