Spektraris NMR
Excisanin E
Common Name: Excisanin E
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C22H32O7/c1-11-13-4-5-14-21(9-23)15(8-17(26)22(14,18(11)27)19(13)28)20(3,7-6-16(21)25)10-29-12(2)24/h13-17,19,23,25-26,28H,1,4-10H2,2-3H3/t13-,14-,15+,16-,17+,19?,20+,21-,22-/m0/s1
InChIKey: InChIKey=QNBPQARBGWXVMH-MMBBSKRJSA-N
Formula: C22H32O7
Molecular Weight: 408.486128
Exact Mass: 408.214803
NMR Solvent: C5D5N
MHz:
Calibration:
NMR references: 13C - WanG, Y.H., Chen, Y.Z., Kim, D., Sun, H.D. Phytochemistry (1997) 45, 1015-7
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 (CH) | 81 |
| 2 (CH2) | 30.3 |
| 3 (CH2) | 33.4 |
| 4 (C) | 36.5 |
| 5 (CH) | 46.6 |
| 6 (CH2) | 30.3 |
| 7 (CH) | 74.8 |
| 8 (C) | 62.5 |
| 9 (CH) | 57 |
| 10 (C) | 48.1 |
| 11 (CH2) | 21.6 |
| 12 (CH2) | 31.8 |
| 13 (CH) | 48.1 |
| 14 (CH) | 76.8 |
| 15 (C) | 209.4 |
| 16 (C) | 150.9 |
| 17 (CH2) | 116.1 |
| 18 (CH2) | 72.7 |
| 19 (CH3) | 18.5 |
| 20 (CH2) | 62.2 |
| 18a (C) | 171.2 |
| 18b (CH3) | 21 |
