Spektraris NMR
annosquamosin E
Common Name: annosquamosin E
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C22H34O5/c1-15(24)26-13-22(25)12-21-10-7-17-19(2,18(21)6-5-16(22)11-21)8-4-9-20(17,3)27-14-23/h14,16-18,25H,4-13H2,1-3H3/t16-,17+,18+,19-,20-,21+,22-/m1/s1
InChIKey: InChIKey=CGCFVZINVXIAQC-FSCQIMEVSA-N
Formula: C22H34O5
Molecular Weight: 378.5032
Exact Mass: 378.240624
NMR Solvent: CDCl3
MHz:
Calibration:
NMR references: 13C - Yang, Y.L., Chang, F.R., Wu, C.C., Wang, W.Y., Wu, Y.C. J Nat Prod (2002) 65, 1462-7
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) | 41.3 |
| 2 (CH2) | 18.5 |
| 3 (CH2) | 36.3 |
| 4 (C) | 84.3 |
| 5 (CH) | 56.1 |
| 6 (CH2) | 19.5 |
| 7 (CH2) | 39.6 |
| 8 (C) | 43.5 |
| 9 (CH) | 56.3 |
| 10 (C) | 39.3 |
| 11 (CH2) | 17.6 |
| 12 (CH2) | 26.6 |
| 13 (CH) | 41.4 |
| 14 (CH2) | 38.3 |
| 15 (CH2) | 52.5 |
| 16 (C) | 78.5 |
| 17 (CH2) | 71.2 |
| 18 (CH3) | 26.3 |
| 20 (CH3) | 17.3 |
| 4a (CH) | 160.6 |
| 17a (C) | 171.3 |
| 17b (CH3) | 20.9 |
