Spektraris NMR
(12E)-2alpha-Hydroxylabda-8(20),12,14-trien-18-oic acid
Common Name: (12E)-2alpha-Hydroxylabda-8(20),12,14-trien-18-oic acid
Synonyms: (12E)-2alpha-Hydroxylabda-8(20),12,14-trien-18-oic acid
CAS Registry Number:
InChI: InChI=1S/C20H30O3/c1-6-13(2)7-9-16-14(3)8-10-17-19(16,4)11-15(21)12-20(17,5)18(22)23/h6-7,15-17,21H,1,3,8-12H2,2,4-5H3,(H,22,23)/b13-7+/t15-,16+,17-,19-,20-/m1/s1
InChIKey: InChIKey=USNLWGSHMJHWQY-FBIYPSPZSA-N
Formula: C20H30O3
Molecular Weight: 318.451155
Exact Mass: 318.219495
NMR Solvent: CDCl3
MHz:
Calibration:
NMR references: 13C - Hussein, A.A., Meyer, J.J., Jimeno, M.L., Rodriguez, B. J Nat Prod (2007) 70, 293-5
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) | 47.4 |
| 2 (CH) | 65 |
| 3 (CH2) | 45.4 |
| 4 (C) | 48.4 |
| 5 (CH) | 49.2 |
| 6 (CH2) | 25.7 |
| 7 (CH2) | 37.3 |
| 8 (C) | 146.6 |
| 9 (CH) | 56.9 |
| 10 (C) | 40.3 |
| 11 (CH2) | 23.1 |
| 12 (CH) | 133 |
| 13 (C) | 133.8 |
| 14 (CH) | 141.4 |
| 15 (CH2) | 110.2 |
| 16 (CH3) | 11.9 |
| 17 (CH2) | 109.1 |
| 18 (C) | 182.9 |
| 19 (CH3) | 17.4 |
| 20 (CH3) | 15.6 |
