Spektraris NMR
(-)-3/3-hydroxy-15,16-dinorlabd-8(17)-ene-13-one
Common Name: (-)-3/3-hydroxy-15,16-dinorlabd-8(17)-ene-13-one
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C18H30O2/c1-12-6-9-15-17(3,4)16(20)10-11-18(15,5)14(12)8-7-13(2)19/h14-16,20H,1,6-11H2,2-5H3/t14-,15-,16-,18+/m0/s1
InChIKey: InChIKey=YMFUKUBKNARDRB-NBOOPKSLSA-N
Formula: C18H30O2
Molecular Weight: 278.430279
Exact Mass: 278.22458
NMR Solvent: CDCl3
MHz:
Calibration:
NMR references: 13C - Monti, H., Tiliacos, N., Faure, R. Phytochemistry (1996) 42, 1653-6
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) | 37 |
| 2 (CH2) | 27.9 |
| 3 (CH) | 78.8 |
| 4 (C) | 39.2 |
| 5 (CH) | 54.6 |
| 6 (CH2) | 24 |
| 7 (CH2) | 38.1 |
| 8 (C) | 147.8 |
| 9 (CH) | 56 |
| 10 (C) | 39.5 |
| 11 (CH2) | 17.6 |
| 12 (CH2) | 42.8 |
| 13 (C) | 209.5 |
| 16 (CH3) | 30.1 |
| 17 (CH2) | 106.8 |
| 18 (CH3) | 28.4 |
| 19 (CH3) | 15.5 |
| 20 (CH3) | 14.4 |
