Spektraris NMR
Deoxyfruticolone
Common Name: Deoxyfruticolone
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C22H30O5/c1-15-11-19(24)22(14-26-16(2)23)18(5-4-8-21(22)13-27-21)20(15,3)9-6-17-7-10-25-12-17/h7,10,12,15,18H,4-6,8-9,11,13-14H2,1-3H3/t15-,18-,20+,21+,22+/m1/s1
InChIKey: InChIKey=FHWOANGPYCUZLI-ISLLMKKTSA-N
Formula: C22H30O5
Molecular Weight: 374.471437
Exact Mass: 374.209324
NMR Solvent: CDCl3
MHz:
Calibration:
NMR references: 13C - Coll, J., Tandron, Y. Phytochemistry (2005) 66, 2298-303
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) | 21.5 |
| 2 (CH2) | 24.8 |
| 3 (CH2) | 33.3 |
| 4 (C) | 61.7 |
| 5 (C) | 54.3 |
| 6 (C) | 207.5 |
| 7 (CH2) | 44.6 |
| 8 (CH) | 38 |
| 9 (C) | 39.1 |
| 10 (CH) | 50.9 |
| 11 (CH2) | 38.4 |
| 12 (CH2) | 18 |
| 13 (C) | 124.5 |
| 14 (CH) | 110.7 |
| 15 (CH) | 143 |
| 16 (CH) | 138.5 |
| 17 (CH3) | 15.8 |
| 18 (CH2) | 49 |
| 19 (CH2) | 62.9 |
| 20 (CH3) | 18.4 |
| 19a (C) | 171.2 |
| 19b (CH3) | 20.9 |
