Spektraris NMR
8β,17-Epoxy-12E-labdene-14ξ,15,16-triol
Common Name: 8β,17-Epoxy-12E-labdene-14ξ,15,16-triol
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C20H34O4/c1-18(2)8-4-9-19(3)16(18)7-10-20(13-24-20)17(19)6-5-14(11-21)15(23)12-22/h5,15-17,21-23H,4,6-13H2,1-3H3/b14-5-/t15?,16-,17+,19-,20+/m0/s1
InChIKey: InChIKey=KEUROELNTNNUBA-FQLQWTNISA-N
Formula: C20H34O4
Molecular Weight: 338.482323
Exact Mass: 338.24571
NMR Solvent: CD3OD
MHz:
Calibration:
NMR references: 13C - Kenmogne, M., Prost, E., Harakat, D., Jacquier, M.J., Frederich, M., Sondengam, L.B., Zeches, M., Waffo-Teguo, P. Phytochemistry (2006) 67, 433-8
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) | 40.3 |
| 2 (CH2) | 19.7 |
| 3 (CH2) | 43.1 |
| 4 (C) | 34.4 |
| 5 (CH) | 56.2 |
| 6 (CH2) | 21.2 |
| 7 (CH2) | 37.1 |
| 8 (C) | 59.3 |
| 9 (CH) | 54.6 |
| 10 (C) | 40.9 |
| 11 (CH2) | 20.7 |
| 12 (CH) | 133.3 |
| 13 (C) | 138.8 |
| 14 (CH) | 71.9 |
| 15 (CH2) | 66.1 |
| 16 (CH2) | 63.9 |
| 17 (CH2) | 50.3 |
| 18 (CH3) | 34 |
| 19 (CH3) | 22.2 |
| 20 (CH3) | 15.2 |
