Spektraris NMR
ent-Labda-13(16),14-diene-1b,8a,9b-triol
Common Name: ent-Labda-13(16),14-diene-1b,8a,9b-triol
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C20H34O3/c1-7-14(2)8-13-20(23)18(5,22)12-9-15-17(3,4)11-10-16(21)19(15,20)6/h7,15-16,21-23H,1-2,8-13H2,3-6H3/t15-,16-,18-,19+,20+/m1/s1
InChIKey: InChIKey=SZXMSRDZIVGLIT-ZJXIFLPPSA-N
Formula: C20H34O3
Molecular Weight: 322.482918
Exact Mass: 322.250795
NMR Solvent: CDCl3
MHz:
Calibration:
NMR references: 13C - Feld, H., Zapp, J., Connolly, J.D., Becker, H. Phytochemistry (2004) 65, 2357-62
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 (CH) | 74.4 |
| 2 (CH2) | 27 |
| 3 (CH2) | 33.9 |
| 4 (C) | 33.1 |
| 5 (CH) | 40.6 |
| 6 (CH2) | 18.2 |
| 7 (CH2) | 37.4 |
| 8 (C) | 76.7 |
| 9 (C) | 79.5 |
| 10 (C) | 45.3 |
| 11 (CH2) | 28.8 |
| 12 (CH2) | 28.1 |
| 13 (C) | 147.9 |
| 14 (CH) | 139.1 |
| 15 (CH2) | 113.3 |
| 16 (CH2) | 115.5 |
| 17 (CH3) | 27.1 |
| 18 (CH3) | 33.5 |
| 19 (CH3) | 21.8 |
| 20 (CH3) | 17.1 |
