Spektraris NMR
Excisanin D
Common Name: Excisanin D
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C22H32O6/c1-11-13-5-6-14-21(4)15(9-17(25)22(14,18(11)26)19(13)27)20(3,8-7-16(21)24)10-28-12(2)23/h13-17,19,24-25,27H,1,5-10H2,2-4H3/t13-,14-,15+,16-,17+,19?,20+,21-,22-/m0/s1
InChIKey: InChIKey=SOISFJAFHWJMRU-MMBBSKRJSA-N
Formula: C22H32O6
Molecular Weight: 392.486723
Exact Mass: 392.219889
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) | 79.8 |
| 2 (CH2) | 29.7 |
| 3 (CH2) | 33.8 |
| 4 (C) | 36.6 |
| 5 (CH) | 46.6 |
| 6 (CH2) | 29.7 |
| 7 (CH) | 74.2 |
| 8 (C) | 62.6 |
| 9 (CH) | 56.5 |
| 10 (C) | 45.5 |
| 11 (CH2) | 20.3 |
| 12 (CH2) | 31.9 |
| 13 (CH) | 47.4 |
| 14 (CH) | 75.9 |
| 15 (C) | 208.5 |
| 16 (C) | 150.5 |
| 17 (CH2) | 115.6 |
| 18 (CH2) | 72.4 |
| 19 (CH3) | 17.6 |
| 20 (CH3) | 15.6 |
| 18a (C) | 170.7 |
| 18b (CH3) | 20.6 |
