Spektraris NMR
13-R/S-Acetoxy-14,15-dinor-labd-8-en-7-one
Common Name: 13-R/S-Acetoxy-14,15-dinor-labd-8-en-7-one
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C20H32O3/c1-13(23-15(3)21)8-9-16-14(2)17(22)12-18-19(4,5)10-7-11-20(16,18)6/h13,18H,7-12H2,1-6H3/t13?,18-,20+/m0/s1
InChIKey: InChIKey=UDPCIVXFZAIQPS-UNGYYTSISA-N
Formula: C20H32O3
Molecular Weight: 320.467037
Exact Mass: 320.235145
NMR Solvent: CDCl3
MHz:
Calibration:
NMR references: 13C - Marcos, I.S., Castaneda, L., Basabe, P., Diez, D., Urones, J.G. Tetrahedron (2008) 64, 8815-29
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) | 36.2 |
| 2 (CH2) | 18.7 |
| 3 (CH2) | 41 |
| 4 (C) | 32.5 |
| 5 (CH) | 50.4 |
| 6 (CH2) | 35 |
| 7 (C) | 199.7 |
| 8 (C) | 130.3 |
| 9 (C) | 166.9 |
| 10 (C) | 41.4 |
| 11 (CH2) | 25.1 |
| 12 (CH2) | 35.3 |
| 13 (CH) | 70.9 |
| 16 (CH3) | 19.7 |
| 17 (CH3) | 11.7 |
| 18 (CH3) | 33 |
| 19 (CH3) | 19.6 |
| 20 (CH3) | 18.3 |
| 13a (C) | 170.5 |
| 13b (CH3) | 21.3 |
