Spektraris NMR
(+)-ent-Labd-7-en-13S,14R,1S-triol
Common Name: (+)-ent-Labd-7-en-13S,14R,1S-triol
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C20H36O3/c1-14-7-8-16-18(2,3)10-6-11-19(16,4)15(14)9-12-20(5,23)17(22)13-21/h7,15-17,21-23H,6,8-13H2,1-5H3/t15-,16-,17+,19+,20+/m1/s1
InChIKey: InChIKey=WWUAKADIANYYEA-JOMPHRNESA-N
Formula: C20H36O3
Molecular Weight: 324.4988
Exact Mass: 324.266445
NMR Solvent: CDCl3
MHz:
Calibration:
NMR references: 13C - Maldonado, E., Seguracorrea, R., Ortega, A., Calderon, J.S., Fronczek, F.R. Phytochemistry (1994) 35, 721-4
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) | 39.2 |
| 2 (CH2) | 18.8 |
| 3 (CH2) | 42.3 |
| 4 (C) | 32.9 |
| 5 (CH) | 50.1 |
| 6 (CH2) | 23.8 |
| 7 (CH) | 122.5 |
| 8 (C) | 135 |
| 9 (CH) | 55.2 |
| 10 (C) | 37 |
| 11 (CH2) | 20.8 |
| 12 (CH2) | 40.8 |
| 13 (C) | 75.1 |
| 14 (CH) | 75.9 |
| 15 (CH2) | 63.3 |
| 16 (CH3) | 23.5 |
| 17 (CH3) | 22.2 |
| 18 (CH3) | 33.1 |
| 19 (CH3) | 21.8 |
| 20 (CH3) | 13.6 |
