Spektraris NMR
17-Acetoxyjolkinolide B
Common Name: 17-Acetoxyjolkinolide B
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C22H28O6/c1-11(23)25-10-12-14-16-21(26-16)9-6-13-19(2,3)7-5-8-20(13,4)15(21)17-22(14,27-17)28-18(12)24/h13,15-17H,5-10H2,1-4H3/t13-,15+,16-,17-,20-,21+,22-/m1/s1
InChIKey: InChIKey=GYXLGRPTVRBMFK-OVURXTQHSA-N
Formula: C22H28O6
Molecular Weight: 388.45496
Exact Mass: 388.188589
NMR Solvent: CDCl3
MHz:
Calibration:
NMR references: 13C - Wang, Y.B., Huang, R., Wang, H.B., Jin, H.Z., Lou, L.G., Qin, G.W. J Nat Prod (2006) 69, 967-70
Species:
Notes: Family : Terpenoids, Type : Diterpenoids, Group : Abietanes; 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) | 41.3 |
| 2 (CH2) | 18.5 |
| 3 (CH2) | 39 |
| 4 (C) | 33.5 |
| 5 (CH) | 53.5 |
| 6 (CH2) | 20.9 |
| 7 (CH2) | 35.7 |
| 8 (C) | 67.4 |
| 9 (CH) | 47.8 |
| 10 (C) | 39.3 |
| 11 (CH) | 61.9 |
| 12 (C) | 85.3 |
| 13 (C) | 154.5 |
| 14 (CH) | 55.3 |
| 15 (C) | 128.3 |
| 16 (C) | 167.4 |
| 17 (CH2) | 54.9 |
| 18 (CH3) | 33.5 |
| 19 (CH3) | 21.9 |
| 20 (CH3) | 15.1 |
| 17a (C) | 170.4 |
| 17b (CH3) | 20.7 |
