Spektraris NMR
Excisusin D
Common Name: Excisusin D
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C22H32O6/c1-10-12-6-14(28-11(2)23)18-21(5)16(26)7-15(25)20(3,4)17(21)13(24)9-22(18,8-12)19(10)27/h12-18,24-26H,1,6-9H2,2-5H3/t12-,13+,14+,15+,16+,17-,18+,21-,22+/m1/s1
InChIKey: InChIKey=TTWNFHXEDVDVHV-DRZGNELRSA-N
Formula: C22H32O6
Molecular Weight: 392.486723
Exact Mass: 392.219889
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 (CH) | 76.8 |
| 2 (CH2) | 37.5 |
| 3 (CH) | 77.1 |
| 4 (C) | 39.2 |
| 5 (CH) | 47.7 |
| 6 (CH) | 66.6 |
| 7 (CH2) | 43.3 |
| 8 (C) | 50 |
| 9 (CH) | 61.1 |
| 10 (C) | 45.1 |
| 11 (CH) | 72.1 |
| 12 (CH2) | 38.4 |
| 13 (CH) | 38 |
| 14 (CH2) | 39 |
| 15 (C) | 209.7 |
| 16 (C) | 151.5 |
| 17 (CH2) | 111.3 |
| 18 (CH3) | 29.8 |
| 19 (CH3) | 24.5 |
| 20 (CH3) | 15.2 |
| 11a (C) | 170.1 |
| 11b (CH3) | 21.5 |
