Spektraris NMR
19-Hydroxy-3-oxo-ent-labda-8(17),13-trien-16,15-olide
Common Name: 19-Hydroxy-3-oxo-ent-labda-8(17),13-trien-16,15-olide
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C20H26O4/c1-13-4-7-16-19(2,10-8-17(22)20(16,3)12-21)15(13)6-5-14-9-11-24-18(14)23/h5-6,9,15-16,21H,1,4,7-8,10-12H2,2-3H3/b6-5+/t15-,16-,19+,20+/m1/s1
InChIKey: InChIKey=VZUQDSZLBXYRHS-PZLCHAKBSA-N
Formula: C20H26O4
Molecular Weight: 330.418797
Exact Mass: 330.183109
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) | 39.6 |
| 2 (CH2) | 36.5 |
| 3 (C) | 213.7 |
| 4 (C) | 55.1 |
| 5 (CH) | 56.3 |
| 6 (CH2) | 24.3 |
| 7 (CH2) | 36.6 |
| 8 (C) | 148.7 |
| 9 (CH) | 61.1 |
| 10 (C) | 38.9 |
| 11 (CH) | 135.1 |
| 12 (CH) | 122.4 |
| 13 (C) | 128.7 |
| 14 (CH) | 145.4 |
| 15 (CH2) | 70.3 |
| 16 (C) | 172.7 |
| 17 (CH2) | 109.5 |
| 18 (CH3) | 21.2 |
| 19 (CH2) | 64.5 |
| 20 (CH3) | 15.4 |
