Spektraris NMR
15,17-Diacetoxy-7,13E-labdudiene
Common Name: 15,17-Diacetoxy-7,13E-labdudiene
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C24H38O4/c1-17(12-15-27-18(2)25)8-10-21-20(16-28-19(3)26)9-11-22-23(4,5)13-7-14-24(21,22)6/h9,12,21-22H,7-8,10-11,13-16H2,1-6H3/b17-12+/t21-,22-,24+/m0/s1
InChIKey: InChIKey=QPYLYLAKASJIHJ-KHYRWDEESA-N
Formula: C24H38O4
Molecular Weight: 390.55703
Exact Mass: 390.27701
NMR Solvent: CDCl3
MHz:
Calibration:
NMR references: 13C - Urones, J.G., Marcos, I.S., Basabe, P., Diez, D., Garrido, N.M., Alonso, C., Oliva, I.M., Lithgow, A.M., Moro, R.F., Sexmero, M.J., Lopez, C. Phytochemistry (1994) 35, 713-9
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) | 39.1 |
| 2 (CH2) | 18.8 |
| 3 (CH2) | 42.3 |
| 4 (C) | 33 |
| 5 (CH) | 49.8 |
| 6 (CH2) | 23.9 |
| 7 (CH) | 129.2 |
| 8 (C) | 134.1 |
| 9 (CH) | 51.9 |
| 10 (C) | 36.6 |
| 11 (CH2) | 25 |
| 12 (CH2) | 41.4 |
| 13 (C) | 142.5 |
| 14 (CH) | 118.8 |
| 15 (CH2) | 61.3 |
| 16 (CH3) | 16.5 |
| 17 (CH2) | 67.8 |
| 18 (CH3) | 33 |
| 19 (CH3) | 21.8 |
| 20 (CH3) | 13.7 |
| 15a (C) | 171.1 |
| 15b (CH3) | 21.1 |
| 17a (C) | 170.7 |
| 17b (CH3) | 21 |
