Spektraris NMR
Isopachydictyolal
Common Name: Isopachydictyolal
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C20H30O2/c1-13(2)6-5-7-14(3)17-11-9-16(12-21)18-10-8-15(4)19(18)20(17)22/h6,8-9,12,14,17-20,22H,5,7,10-11H2,1-4H3/t14?,17-,18-,19+,20+/m0/s1
InChIKey: InChIKey=BPLZGSCDXJUDTI-DQRIWYBJSA-N
Formula: C20H30O2
Molecular Weight: 302.45175
Exact Mass: 302.22458
NMR Solvent: CDCl3
MHz:
Calibration:
NMR references: 13C - Siamopoulou, P., Bimplakis, A., Iliopoulou, D., Vagias, C., Cos, P., Vanden Berghe, D., Roussis, V. Phytochemistry (2004) 65, 2025-30
Species:
Notes: Family : Terpenoids, Type : Diterpenoids, Group : Prenylguaianes; 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 (CH) | 40.9 |
| 2 (CH2) | 35.6 |
| 3 (CH) | 125.7 |
| 4 (C) | 140.7 |
| 5 (CH) | 57.3 |
| 6 (CH) | 73.7 |
| 7 (CH) | 45.7 |
| 8 (CH2) | 26.1 |
| 9 (CH) | 156.5 |
| 10 (C) | 147.4 |
| 11 (CH) | 33.3 |
| 12 (CH2) | 34.6 |
| 13 (CH2) | 25.3 |
| 14 (CH) | 124.4 |
| 15 (C) | 132 |
| 16 (CH3) | 25.7 |
| 17 (CH3) | 16 |
| 18 (CH) | 194.6 |
| 19 (CH3) | 17.5 |
| 20 (CH3) | 17.7 |
