Spektraris NMR
Labda-8(17),13(Z)-diene-15,19-dioic acid
Common Name: Labda-8(17),13(Z)-diene-15,19-dioic acid
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C20H30O4/c1-13(12-17(21)22)6-8-15-14(2)7-9-16-19(15,3)10-5-11-20(16,4)18(23)24/h12,15-16H,2,5-11H2,1,3-4H3,(H,21,22)(H,23,24)/b13-12-/t15-,16+,19+,20-/m0/s1
InChIKey: InChIKey=QYCOHMYDSOZCQD-IDVMRNNNSA-N
Formula: C20H30O4
Molecular Weight: 334.45056
Exact Mass: 334.214409
NMR Solvent: CDCl3
MHz:
Calibration:
NMR references: 13C - Lin, S.J., Short, R.E., Ford, S.P., Grings, E.E., Rosazza, J.P. J Nat Prod (1998) 61, 51-6
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) | 40.5 |
| 2 (CH2) | 21.2 |
| 3 (CH2) | 39.4 |
| 4 (C) | 45.2 |
| 5 (CH) | 57.8 |
| 6 (CH2) | 27.6 |
| 7 (CH2) | 40 |
| 8 (C) | 149.5 |
| 9 (CH) | 57.6 |
| 10 (C) | 41.7 |
| 11 (CH2) | 23.8 |
| 12 (CH2) | 33.7 |
| 13 (C) | 162.1 |
| 14 (CH) | 117.4 |
| 15 (C) | 169.9 |
| 16 (CH3) | 25.6 |
| 17 (CH2) | 107.1 |
| 18 (CH3) | 29.6 |
| 19 (C) | 181.3 |
| 20 (CH3) | 13.4 |
