Spektraris NMR
Fruticolone
Common Name: Fruticolone
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C22H30O6/c1-14-10-18(25)22(13-27-15(2)23)19(17(24)5-8-21(22)12-28-21)20(14,3)7-4-16-6-9-26-11-16/h6,9,11,14,17,19,24H,4-5,7-8,10,12-13H2,1-3H3/t14-,17+,19-,20+,21+,22-/m1/s1
InChIKey: InChIKey=WANDVJULGULKJH-DSEUMGGYSA-N
Formula: C22H30O6
Molecular Weight: 390.470842
Exact Mass: 390.204239
NMR Solvent: CDCl3
MHz:
Calibration:
NMR references: 13C - Coll, J., Tandron, Y. Phytochemistry (2004) 65, 387-92
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 (CH) | 66.8 |
| 2 (CH2) | 34.8 |
| 3 (CH2) | 28.5 |
| 4 (C) | 61.6 |
| 5 (C) | 55.1 |
| 6 (C) | 206.9 |
| 7 (CH2) | 55 |
| 8 (CH) | 38.4 |
| 9 (C) | 39.9 |
| 10 (CH) | 52.7 |
| 11 (CH2) | 38.6 |
| 12 (CH2) | 18.1 |
| 13 (C) | 124.4 |
| 14 (CH) | 110.7 |
| 15 (CH) | 143 |
| 16 (CH) | 138.5 |
| 17 (CH3) | 15.4 |
| 18 (CH2) | 49.3 |
| 19 (CH2) | 64.2 |
| 20 (CH3) | 19.2 |
| 19a (C) | 171.1 |
| 19b (CH3) | 21 |
