Spektraris NMR
17-Acetoxyjolkinolide A
Common Name: 17-Acetoxyjolkinolide A
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C22H28O5/c1-12(23)25-11-13-17-14(26-19(13)24)10-16-21(4)8-5-7-20(2,3)15(21)6-9-22(16)18(17)27-22/h10,15-16,18H,5-9,11H2,1-4H3/t15-,16+,18-,21-,22+/m1/s1
InChIKey: InChIKey=CABXXWMSQRXEQX-CVPGBNADSA-N
Formula: C22H28O5
Molecular Weight: 372.455555
Exact Mass: 372.193674
NMR Solvent: CDCl3
MHz:
Calibration:
NMR references: 13C - Che, C.T., Zhou, T.X., Ma, Q.G., Qin, G.W., Williams, I.D., Wu, H.M., Shi, Z.S. Phytochemistry (1999) 52, 117-21
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) | 40 |
| 2 (CH2) | 18.4 |
| 3 (CH2) | 41.5 |
| 4 (C) | 33.5 |
| 5 (CH) | 53.5 |
| 6 (CH2) | 20.8 |
| 7 (CH2) | 33.8 |
| 8 (C) | 61.3 |
| 9 (CH) | 51.9 |
| 10 (C) | 41.6 |
| 11 (CH) | 107.6 |
| 12 (C) | 149.5 |
| 13 (C) | 147.2 |
| 14 (CH) | 54.3 |
| 15 (C) | 122.3 |
| 16 (C) | 170.5 |
| 17 (CH2) | 55.4 |
| 18 (CH3) | 33.4 |
| 19 (CH3) | 21.9 |
| 20 (CH3) | 15 |
| 17a (C) | 168.5 |
| 17b (CH3) | 20.7 |
