Spektraris NMR
(12E)-Labda-8(20),12,14-triene-2alpha,18-diol
Common Name: (12E)-Labda-8(20),12,14-triene-2alpha,18-diol
Synonyms: (12E)-Labda-8(20),12,14-triene-2alpha,18-diol
CAS Registry Number:
InChI: InChI=1S/C20H32O2/c1-6-14(2)7-9-17-15(3)8-10-18-19(4,13-21)11-16(22)12-20(17,18)5/h6-7,16-18,21-22H,1,3,8-13H2,2,4-5H3/b14-7+/t16-,17-,18-,19-,20+/m0/s1
InChIKey: InChIKey=SWIIQEZMLWUBRB-CWNDDPNYSA-N
Formula: C20H32O2
Molecular Weight: 304.467632
Exact Mass: 304.24023
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) | 47.8 |
| 2 (CH) | 65.5 |
| 3 (CH2) | 44.6 |
| 4 (C) | 39.4 |
| 5 (CH) | 47.4 |
| 6 (CH2) | 23.5 |
| 7 (CH2) | 37.5 |
| 8 (C) | 147.4 |
| 9 (CH) | 56.8 |
| 10 (C) | 40.7 |
| 11 (CH2) | 23.3 |
| 12 (CH) | 133.4 |
| 13 (C) | 133.6 |
| 14 (CH) | 141.5 |
| 15 (CH2) | 110 |
| 16 (CH3) | 11.9 |
| 17 (CH2) | 108.5 |
| 18 (CH2) | 71.4 |
| 19 (CH3) | 18.6 |
| 20 (CH3) | 15.9 |
