Spektraris NMR
Excoecarin E
Common Name: Excoecarin E
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C20H30O2/c1-17(2)12-6-10-20-11-18(3,15-16(20)22-15)8-5-13(20)19(12,4)9-7-14(17)21/h12-13,15-16H,5-11H2,1-4H3/t12-,13+,15?,16?,18+,19-,20+/m1/s1
InChIKey: InChIKey=VOVNVULYSGPWDO-WSXJVVEYSA-N
Formula: C20H30O2
Molecular Weight: 302.45175
Exact Mass: 302.22458
NMR Solvent: CDCl3
MHz:
Calibration:
NMR references: 13C - Konishi, T., Konoshima, T., Fujiwara, Y., Kiyosawa, S. J Nat Prod (2000) 63, 344-6
Species:
Notes: Family : Terpenoids, Type : Diterpenoids, Group : Beyeranes; 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) | 38.2 |
| 2 (CH2) | 34.3 |
| 3 (C) | 217.1 |
| 4 (C) | 47.6 |
| 5 (CH) | 55.5 |
| 6 (CH2) | 19.5 |
| 7 (CH2) | 35.3 |
| 8 (C) | 44.1 |
| 9 (CH) | 55.5 |
| 10 (C) | 37 |
| 11 (CH2) | 20.8 |
| 12 (CH2) | 32.6 |
| 13 (C) | 39.1 |
| 14 (CH2) | 46.5 |
| 15 (CH) | 60 |
| 16 (CH) | 55.6 |
| 17 (CH3) | 21.4 |
| 18 (CH3) | 26.3 |
| 19 (CH3) | 21.7 |
| 20 (CH3) | 15.5 |
