Spektraris NMR
Methyl 2α-hydroxylabda-8(17),12E,14-trien-18-oate
Common Name: Methyl 2α-hydroxylabda-8(17),12E,14-trien-18-oate
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C21H32O3/c1-7-14(2)8-10-17-15(3)9-11-18-20(17,4)12-16(22)13-21(18,5)19(23)24-6/h7-8,16-18,22H,1,3,9-13H2,2,4-6H3/b14-8+/t16-,17+,18-,20-,21-/m1/s1
InChIKey: InChIKey=LZXFMXAQLYNMRU-UTYRKZDISA-N
Formula: C21H32O3
Molecular Weight: 332.477773
Exact Mass: 332.235145
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) | 64.9 |
| 3 (CH2) | 45.5 |
| 4 (C) | 48.7 |
| 5 (CH) | 49.4 |
| 6 (CH2) | 25.7 |
| 7 (CH2) | 37.3 |
| 8 (C) | 146.7 |
| 9 (CH) | 56.8 |
| 10 (C) | 40.3 |
| 11 (CH2) | 23 |
| 12 (CH) | 133 |
| 13 (C) | 133.7 |
| 14 (CH) | 141.4 |
| 15 (CH2) | 110.2 |
| 16 (CH3) | 11.9 |
| 17 (CH2) | 108.9 |
| 18 (C) | 178 |
| 19 (CH3) | 17.6 |
| 20 (CH3) | 15.6 |
| 18a (CH3) | 52.2 |
