Spektraris NMR
ent-Labda-8(20),12Z,14-trien-2alpha-ol
Common Name: ent-Labda-8(20),12Z,14-trien-2alpha-ol
Synonyms: ent-Labda-8(20),12Z,14-trien-2alpha-ol
CAS Registry Number:
InChI: InChI=1S/C20H32O/c1-7-14(2)8-10-17-15(3)9-11-18-19(4,5)12-16(21)13-20(17,18)6/h7-8,16-18,21H,1,3,9-13H2,2,4-6H3/b14-8-/t16-,17-,18-,20+/m1/s1
InChIKey: InChIKey=KIFPWQJEMJLMAS-PRQMMVMVSA-N
Formula: C20H32O1
Molecular Weight: 288.468227
Exact Mass: 288.245316
NMR Solvent: CDCl3
MHz:
Calibration:
NMR references: 13C - Gaspar-Marques, C., Simoes, M.F., Duarte, A., Rodriguez, B. J Nat Prod (2003) 66, 491-6
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) | 48.37 |
| 2 (CH) | 65.64 |
| 3 (CH2) | 51.11 |
| 4 (C) | 35.06 |
| 5 (CH) | 54.78 |
| 6 (CH2) | 23.79 |
| 7 (CH2) | 37.86 |
| 8 (C) | 147.66 |
| 9 (CH) | 57.23 |
| 10 (C) | 41.02 |
| 11 (CH2) | 22.25 |
| 12 (CH) | 131.18 |
| 13 (C) | 131.81 |
| 14 (CH) | 133.81 |
| 15 (CH2) | 113.37 |
| 16 (CH3) | 19.73 |
| 17 (CH2) | 108.48 |
| 18 (CH3) | 33.69 |
| 19 (CH3) | 22.69 |
| 20 (CH3) | 15.36 |
