Spektraris NMR
12-Hydroxylabda-8(20),13-diene-15,19-dioic acid 15,12-lactone
Common Name: 12-Hydroxylabda-8(20),13-diene-15,19-dioic acid 15,12-lactone
Synonyms: 12-Hydroxylabda-8(20),13-diene-15,19-dioic acid 15,12-lactone
CAS Registry Number:
InChI: InChI=1S/C20H28O4/c1-12-6-7-16-19(3,8-5-9-20(16,4)18(22)23)14(12)11-15-13(2)10-17(21)24-15/h10,14-16H,1,5-9,11H2,2-4H3,(H,22,23)/t14-,15?,16+,19+,20-/m0/s1
InChIKey: InChIKey=RZOJUNXETNSSSH-TYJOJIONSA-N
Formula: C20H28O4
Molecular Weight: 332.434679
Exact Mass: 332.198759
NMR Solvent: CDCl3
MHz:
Calibration:
NMR references: 13C - Li, Y.C., Kuo, Y.H. Chem Pharm Bull (2002) 50, 498-500
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) | 38.7 |
| 2 (CH2) | 19.7 |
| 3 (CH2) | 37.8 |
| 4 (C) | 44.1 |
| 5 (CH) | 55.9 |
| 6 (CH2) | 26 |
| 7 (CH2) | 38.4 |
| 8 (C) | 148 |
| 9 (CH) | 51.7 |
| 10 (C) | 40.1 |
| 11 (CH2) | 28 |
| 12 (CH) | 83.4 |
| 13 (C) | 169.3 |
| 14 (CH) | 116.6 |
| 15 (C) | 173.1 |
| 16 (CH3) | 13.9 |
| 17 (CH2) | 106 |
| 18 (CH3) | 29 |
| 19 (C) | 182 |
| 20 (CH3) | 12.9 |
