Spektraris NMR
ent-Labda-8(17),13-diene-15,16,19-triol
Common Name: ent-Labda-8(17),13-diene-15,16,19-triol
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C20H34O3/c1-15-5-8-18-19(2,14-23)10-4-11-20(18,3)17(15)7-6-16(13-22)9-12-21/h9,17-18,21-23H,1,4-8,10-14H2,2-3H3/b16-9-/t17-,18+,19+,20+/m1/s1
InChIKey: InChIKey=FUHGIRXMYOFRFO-UZULSNNVSA-N
Formula: C20H34O3
Molecular Weight: 322.482918
Exact Mass: 322.250795
NMR Solvent: C5D5N
MHz:
Calibration:
NMR references: 13C - Chen, L.X., Qiu, F., Wei, H., Qu, G.X., Yao, X.S. Helv Chim Acta (2006) 89, 2654-64
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) | 39.3 |
| 2 (CH2) | 19.5 |
| 3 (CH2) | 36 |
| 4 (C) | 39.9 |
| 5 (CH) | 56.4 |
| 6 (CH2) | 24.8 |
| 7 (CH2) | 39 |
| 8 (C) | 148.9 |
| 9 (CH) | 57 |
| 10 (C) | 39.5 |
| 11 (CH2) | 23 |
| 12 (CH2) | 34.6 |
| 13 (C) | 142.8 |
| 14 (CH) | 127.4 |
| 15 (CH2) | 60 |
| 16 (CH2) | 58.5 |
| 17 (CH2) | 106.9 |
| 18 (CH3) | 28.1 |
| 19 (CH2) | 63.8 |
| 20 (CH3) | 15.6 |
