Spektraris NMR
Daniellol
Common Name: Daniellol
Synonyms: Daniellol
CAS Registry Number:
InChI: InChI=1S/C20H30O2/c1-15-5-8-18-19(2,14-21)10-4-11-20(18,3)17(15)7-6-16-9-12-22-13-16/h9,12-13,17-18,21H,1,4-8,10-11,14H2,2-3H3/t17-,18-,19+,20+/m1/s1
InChIKey: InChIKey=FZOWADKCRJKMDU-ZRNYENFQSA-N
Formula: C20H30O2
Molecular Weight: 302.45175
Exact Mass: 302.22458
NMR Solvent: CDCl3
MHz:
Calibration:
NMR references: 13C - DellaGreca, M., Fiorentino, A., Isidori, M., Monaco, P., Zarrelli, A. Phytochemistry (2000) 55, 909-13
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) | 38.7 |
| 2 (CH2) | 18.9 |
| 3 (CH2) | 35.5 |
| 4 (C) | 38.9 |
| 5 (CH) | 56.1 |
| 6 (CH2) | 24.1 |
| 7 (CH2) | 38.5 |
| 8 (C) | 147.9 |
| 9 (CH) | 56 |
| 10 (C) | 38.9 |
| 11 (CH2) | 23.5 |
| 12 (CH2) | 24.3 |
| 13 (C) | 125.4 |
| 14 (CH) | 110.9 |
| 15 (CH) | 142.6 |
| 16 (CH) | 139.6 |
| 17 (CH2) | 106.5 |
| 18 (CH3) | 27 |
| 19 (CH2) | 65 |
| 20 (CH3) | 15.3 |
