Spektraris NMR
Labda-8,14-dien-6β,7β,13R-triol
Common Name: Labda-8,14-dien-6β,7β,13R-triol
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C20H34O3/c1-7-19(5,23)12-9-14-13(2)15(21)16(22)17-18(3,4)10-8-11-20(14,17)6/h7,15-17,21-23H,1,8-12H2,2-6H3/t15-,16-,17+,19+,20-/m1/s1
InChIKey: InChIKey=HFWMJFFBFIJOSY-NLPMXTIOSA-N
Formula: C20H34O3
Molecular Weight: 322.482918
Exact Mass: 322.250795
NMR Solvent: CDCl3
MHz:
Calibration:
NMR references: 13C - Marcos, I.S., Castaneda, L., Basabe, P., Diez, D., Urones, J.G. Tetrahedron (2008) 64, 8815-29
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) | 40.1 |
| 2 (CH2) | 19.2 |
| 3 (CH2) | 43 |
| 4 (C) | 33.8 |
| 5 (CH) | 53.1 |
| 6 (CH) | 68 |
| 7 (CH) | 73.5 |
| 8 (C) | 125.4 |
| 9 (C) | 143.9 |
| 10 (C) | 40.2 |
| 11 (CH2) | 22.3 |
| 12 (CH2) | 41.9 |
| 13 (C) | 73.8 |
| 14 (CH) | 144.9 |
| 15 (CH2) | 112.3 |
| 16 (CH3) | 28 |
| 17 (CH3) | 15 |
| 18 (CH3) | 33.9 |
| 19 (CH3) | 24.2 |
| 20 (CH3) | 22.2 |
