Spektraris NMR
Excisusin E
Common Name: Excisusin E
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C22H30O5/c1-12-14-9-15(24)18-20(3)7-6-17(25)21(4,11-27-13(2)23)16(20)5-8-22(18,10-14)19(12)26/h14-16,18,24H,1,5-11H2,2-4H3/t14-,15+,16+,18+,20-,21+,22-/m1/s1
InChIKey: InChIKey=HUQHJDCFQIVPAM-DLIGVDNUSA-N
Formula: C22H30O5
Molecular Weight: 374.471437
Exact Mass: 374.209324
NMR Solvent: C5D5N
MHz:
Calibration:
NMR references: 13C - Hong, S.S., Lee, S.A., Han, X.H., Jin, H.Z., Lee, J.H., Lee, D., Lee, J.J., Hong, J.T., Kim, Y., Ro, J.S., Hwang, B.Y. J Nat Prod (2007) 70, 632-6
Species:
Notes: Family : Terpenoids, Type : Diterpenoids, Group : Kauranes; 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) | 38.4 |
| 2 (CH2) | 34.4 |
| 3 (C) | 212.3 |
| 4 (C) | 51.3 |
| 5 (CH) | 55.6 |
| 6 (CH2) | 19.6 |
| 7 (CH2) | 33.5 |
| 8 (C) | 50 |
| 9 (CH) | 62.4 |
| 10 (C) | 37.7 |
| 11 (CH) | 66.2 |
| 12 (CH2) | 41.3 |
| 13 (CH) | 36.7 |
| 14 (CH2) | 36.4 |
| 15 (C) | 208.8 |
| 16 (C) | 149.7 |
| 17 (CH2) | 113.6 |
| 18 (CH3) | 21.6 |
| 19 (CH2) | 65.7 |
| 20 (CH3) | 17.6 |
| 19a (C) | 170.9 |
| 19b (CH3) | 20.9 |
