Spektraris NMR
16-Oxo-8(17),13-labdadiene-15,19-dioic acid
Common Name: 16-Oxo-8(17),13-labdadiene-15,19-dioic acid
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C20H28O5/c1-12-5-8-15-19(2,9-4-10-20(15,3)18(23)24)14(12)7-6-13-11-16(21)25-17(13)22/h11,14-16,21H,1,4-10H2,2-3H3,(H,23,24)/t14-,15+,16+,19+,20-/m0/s1
InChIKey: InChIKey=CKMAUJLOUQNVRZ-AFJOWOCMSA-N
Formula: C20H28O5
Molecular Weight: 348.434084
Exact Mass: 348.193674
NMR Solvent: CDCl3
MHz:
Calibration:
NMR references: 13C - Asili, J., Lambert, M., Ziegler, H.L., Staerk, D., SairaBanpour, M., Witt, M., Asghari, G., Ibrahimi, I.S., Jaroszewski, J.W. J Nat Prod (2004) 67, 631-7
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) | 39.18 |
| 2 (CH2) | 19.86 |
| 3 (CH2) | 37.93 |
| 4 (C) | 44.17 |
| 5 (CH) | 56.23 |
| 6 (CH2) | 26.03 |
| 7 (CH2) | 38.6 |
| 8 (C) | 147.27 |
| 9 (CH) | 55.77 |
| 10 (C) | 40.52 |
| 11 (CH2) | 21.73 |
| 12 (CH2) | 24.51 |
| 13 (C) | 138.94 |
| 14 (CH) | 142.82 |
| 15 (CH) | 96.5 |
| 16 (C) | 171.4 |
| 17 (CH2) | 106.83 |
| 18 (CH3) | 28.97 |
| 19 (C) | 182.9 |
| 20 (CH3) | 12.78 |
