Spektraris NMR
3,19-Dihydroxy-14,15,16-trinor-ent-labda-8(17)11-dien-13-oic
Common Name: 3,19-Dihydroxy-14,15,16-trinor-ent-labda-8(17)11-dien-13-oic
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C17H26O4/c1-11-4-6-13-16(2,12(11)5-7-15(20)21)9-8-14(19)17(13,3)10-18/h5,7,12-14,18-19H,1,4,6,8-10H2,2-3H3,(H,20,21)/b7-5+/t12-,13-,14-,16+,17+/m1/s1
InChIKey: InChIKey=ABRILZQPRHWMRY-RXVZIGDFSA-N
Formula: C17H26O4
Molecular Weight: 294.38659
Exact Mass: 294.183109
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) | 38.7 |
| 2 (CH2) | 28.8 |
| 3 (CH) | 80 |
| 4 (C) | 43.4 |
| 5 (CH) | 54.6 |
| 6 (CH2) | 23.6 |
| 7 (CH2) | 36.9 |
| 8 (C) | 148.6 |
| 9 (CH) | 60.1 |
| 10 (C) | 38.9 |
| 11 (CH) | 146.5 |
| 12 (CH) | 126.3 |
| 13 (C) | 168.6 |
| 17 (CH2) | 108.9 |
| 18 (CH3) | 23.7 |
| 19 (CH2) | 64.2 |
| 20 (CH3) | 15.9 |
