Spektraris NMR
Excisanins K
Common Name: Excisanins K
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C20H30O5/c1-10-11-4-5-12-19(3)13(18(2,9-21)7-6-14(19)22)8-15(23)20(12,16(10)24)17(11)25/h11-15,17,21-23,25H,1,4-9H2,2-3H3/t11-,12-,13+,14-,15+,17+,18+,19-,20-/m0/s1
InChIKey: InChIKey=NQABJFRJEKCYEC-GFPDKIFBSA-N
Formula: C20H30O5
Molecular Weight: 350.449965
Exact Mass: 350.209324
NMR Solvent: C5D5N
MHz:
Calibration:
NMR references: 13C - Gui, M.Y., Aoyagi, Y., Jin, Y.R., Li, X.W., Hasuda, T., Takeya, K. J Nat Prod (2004) 67, 373-6
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) | 80.2 |
| 2 (CH2) | 30 |
| 3 (CH2) | 33.8 |
| 4 (C) | 37.9 |
| 5 (CH) | 45.5 |
| 6 (CH2) | 29.5 |
| 7 (CH) | 74.4 |
| 8 (C) | 62.8 |
| 9 (CH) | 56.7 |
| 10 (C) | 45.4 |
| 11 (CH2) | 20.3 |
| 12 (CH2) | 31.9 |
| 13 (CH) | 47.4 |
| 14 (CH) | 76 |
| 15 (C) | 208.8 |
| 16 (C) | 150.6 |
| 17 (CH2) | 115.6 |
| 18 (CH2) | 71 |
| 19 (CH3) | 18 |
| 20 (CH3) | 15.6 |
