Spektraris NMR
Furocrotinsulolide A
Common Name: Furocrotinsulolide A
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C20H28O5/c1-18-10-14(12-7-9-24-11-12)25-17(22)13(18)6-8-19(2)15(18)4-5-16(21)20(19,3)23/h7,9,11,13-16,21,23H,4-6,8,10H2,1-3H3/t13-,14-,15+,16+,18-,19+,20-/m0/s1
InChIKey: InChIKey=RBEATXBLUJTDQZ-XYKZDZFDSA-N
Formula: C20H28O5
Molecular Weight: 348.434084
Exact Mass: 348.193674
NMR Solvent: CD3OD
MHz:
Calibration:
NMR references: 13C - Graikou, K., Aligiannis, N., Chinou, L., Skaltsounis, A.L., Tillequin, F.O., Litaudon, M. Helv Chim Acta (2005) 88, 2654-60
Species:
Notes: Family : Terpenoids, Type : Diterpenoids, Group : Clerodanes; 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) | 18.3 |
| 2 (CH2) | 31.5 |
| 3 (CH) | 77.2 |
| 4 (C) | 77.5 |
| 5 (C) | 42.4 |
| 6 (CH2) | 33.1 |
| 7 (CH2) | 19.3 |
| 8 (CH) | 52.4 |
| 9 (C) | 38.3 |
| 10 (CH) | 49 |
| 11 (CH2) | 45.8 |
| 12 (CH) | 74.3 |
| 13 (C) | 127.9 |
| 14 (CH) | 110.2 |
| 15 (CH) | 145.5 |
| 16 (CH) | 141.6 |
| 17 (C) | 176.2 |
| 18 (CH3) | 21.5 |
| 19 (CH3) | 18.1 |
| 20 (CH3) | 15.4 |
