Spektraris NMR
Excisusin C
Common Name: Excisusin C
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C22H34O5/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/h14-19,24-26H,1,5-11H2,2-4H3/t14-,15+,16+,17-,18+,19-,20-,21+,22-/m1/s1
InChIKey: InChIKey=CHKPKMQLJUVPLP-DOJKHQBHSA-N
Formula: C22H34O5
Molecular Weight: 378.5032
Exact Mass: 378.240624
NMR Solvent: p
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) | 39 |
| 2 (CH2) | 28.1 |
| 3 (CH) | 78 |
| 4 (C) | 42.7 |
| 5 (CH) | 55.4 |
| 6 (CH2) | 21.5 |
| 7 (CH2) | 40.3 |
| 8 (C) | 45.3 |
| 9 (CH) | 56.4 |
| 10 (C) | 37.6 |
| 11 (CH) | 65.6 |
| 12 (CH2) | 42.8 |
| 13 (CH) | 40.1 |
| 14 (CH2) | 36.3 |
| 15 (CH) | 82.8 |
| 16 (C) | 159.5 |
| 17 (CH2) | 105.8 |
| 18 (CH3) | 23.5 |
| 19 (CH2) | 66.6 |
| 20 (CH3) | 17.4 |
| 19a (C) | 171.1 |
| 19b (CH3) | 21.2 |
