Spektraris NMR
Labda-8,13-diene-6beta,7alpha,15-triol
Common Name: Labda-8,13-diene-6beta,7alpha,15-triol
Synonyms: Labda-8,13-diene-6beta,7alpha,15-triol
CAS Registry Number:
InChI: InChI=1S/C20H34O3/c1-13(9-12-21)7-8-15-14(2)16(22)17(23)18-19(3,4)10-6-11-20(15,18)5/h9,16-18,21-23H,6-8,10-12H2,1-5H3/b13-9+/t16-,17+,18-,20+/m0/s1
InChIKey: InChIKey=RLISTJPUAUXSSD-IHJUFPASSA-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) | 39.3 |
| 2 (CH2) | 19 |
| 3 (CH2) | 42.8 |
| 4 (C) | 33.6 |
| 5 (CH) | 49.3 |
| 6 (CH) | 71.7 |
| 7 (CH) | 76.2 |
| 8 (C) | 124.2 |
| 9 (C) | 146.2 |
| 10 (C) | 39.4 |
| 11 (CH2) | 26.9 |
| 12 (CH2) | 39.3 |
| 13 (C) | 140 |
| 14 (CH) | 123 |
| 15 (CH2) | 59.4 |
| 16 (CH3) | 16.4 |
| 17 (CH3) | 17.8 |
| 18 (CH3) | 33.4 |
| 19 (CH3) | 24.1 |
| 20 (CH3) | 21.6 |
