Spektraris NMR
Agallochin E
Common Name: Agallochin E
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C19H30O3/c1-7-17(4)10-8-14-18(5)12-15(20)21-16(2,3)13(18)9-11-19(14,6)22-17/h7,13-14H,1,8-12H2,2-6H3/t13-,14+,17+,18-,19+/m1/s1
InChIKey: InChIKey=VQWXIOITDURSCC-CZAUZLFCSA-N
Formula: C19H30O3
Molecular Weight: 306.440419
Exact Mass: 306.219495
NMR Solvent: CDCl3
MHz:
Calibration:
NMR references: 13C - Anjaneyulu, A.S., Rao, V.L. Phytochemistry (2000) 55, 891-901
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) | 45.8 |
| 2 (C) | 170.3 |
| 4 (C) | 85.6 |
| 5 (CH) | 52.4 |
| 6 (CH2) | 22.1 |
| 7 (CH2) | 41.5 |
| 8 (C) | 74.9 |
| 9 (CH) | 55.9 |
| 10 (C) | 36.2 |
| 11 (CH2) | 15.9 |
| 12 (CH2) | 34.5 |
| 13 (C) | 73.6 |
| 14 (CH) | 147 |
| 15 (CH2) | 110 |
| 16 (CH3) | 32.5 |
| 17 (CH3) | 23 |
| 18 (CH3) | 32.5 |
| 19 (CH3) | 24.3 |
| 20 (CH3) | 16.2 |
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The Spektraris NMR database is developed and hosted by the Lange laboratory at WSU. CAS Registry Number is a Registered Trademark of the American Chemical Society.