Spektraris NMR
Excisusin B
Common Name: Excisusin B
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C22H32O5/c1-11-13-8-14(24)18-21(5)15(6-7-22(18,10-13)19(11)26)20(3,4)17(9-16(21)25)27-12(2)23/h13-18,24-25H,1,6-10H2,2-5H3/t13-,14+,15-,16+,17+,18+,21+,22-/m1/s1
InChIKey: InChIKey=VOVJFFHWRLJLCL-YDVCLITOSA-N
Formula: C22H32O5
Molecular Weight: 376.487318
Exact Mass: 376.224974
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) | 75.9 |
| 2 (CH2) | 34 |
| 3 (CH) | 78.9 |
| 4 (C) | 36.8 |
| 5 (CH) | 49.3 |
| 6 (CH2) | 18.6 |
| 7 (CH2) | 35.2 |
| 8 (C) | 51.2 |
| 9 (CH) | 65.3 |
| 10 (C) | 44.8 |
| 11 (CH) | 66.8 |
| 12 (CH2) | 41.6 |
| 13 (CH) | 38.2 |
| 14 (CH2) | 37.9 |
| 15 (C) | 209 |
| 16 (C) | 152.5 |
| 17 (CH2) | 110.1 |
| 18 (CH3) | 27.9 |
| 19 (CH3) | 21.7 |
| 20 (CH3) | 14.4 |
| 3a (C) | 170.3 |
| 3b (CH3) | 20.9 |
