Spektraris NMR
3beta-Hydroxylabda-8(20),13(16),14-trien-11-one
Common Name: 3beta-Hydroxylabda-8(20),13(16),14-trien-11-one
Synonyms: 3beta-Hydroxylabda-8(20),13(16),14-trien-11-one
CAS Registry Number:
InChI: InChI=1S/C20H30O2/c1-7-13(2)12-15(21)18-14(3)8-9-16-19(4,5)17(22)10-11-20(16,18)6/h7,16-18,22H,1-3,8-12H2,4-6H3/t16-,17-,18+,20-/m0/s1
InChIKey: InChIKey=LLFVYKSZMYVXBD-GNBUJSLZSA-N
Formula: C20H30O2
Molecular Weight: 302.45175
Exact Mass: 302.22458
NMR Solvent: CDCl3
MHz:
Calibration:
NMR references: 13C - Hertewich, U.M., Zapp, J., Becker, H. Phytochemistry (2003) 63, 227-33
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) | 31.2 |
| 2 (CH2) | 25.7 |
| 3 (CH) | 75.9 |
| 4 (C) | 37.6 |
| 5 (CH) | 47.9 |
| 6 (CH2) | 23.3 |
| 7 (CH2) | 36.8 |
| 8 (C) | 144.8 |
| 9 (CH) | 66.4 |
| 10 (C) | 39.7 |
| 11 (C) | 207.9 |
| 12 (CH2) | 49.3 |
| 13 (C) | 140 |
| 14 (CH) | 138.2 |
| 15 (CH2) | 114.9 |
| 16 (CH2) | 119.9 |
| 17 (CH2) | 109 |
| 18 (CH3) | 28.4 |
| 19 (CH3) | 22.2 |
| 20 (CH3) | 14.3 |
