Spektraris NMR
SCHEMBL13058991
Common Name: SCHEMBL13058991
Synonyms: SCHEMBL13058991
CAS Registry Number:
InChI: InChI=1S/C22H30O5/c1-13(2)6-5-7-14(3)18-9-8-16(12-27-15(4)23)21-19(18)10-17(22(25)26)11-20(21)24/h6,10-11,14,16,18,24H,5,7-9,12H2,1-4H3,(H,25,26)/t14-,16-,18-/m0/s1
InChIKey: InChIKey=WWSLEIZYHDWGFE-ZVZYQTTQSA-N
Formula: C22H30O5
Molecular Weight: 374.471437
Exact Mass: 374.209324
NMR Solvent: CD3OD
MHz:
Calibration:
NMR references: 13C - Ndi, C.P., Semple, S.J., Griesser, H.J., Pyke, S.M., Barton, M.D. Phytochemistry (2007) 68, 2684-90
Species:
Notes: Family : Terpenoids, Type : Diterpenoids, Group : Serrulatanes; 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) | 34 |
| 2 (CH2) | 23.1 |
| 3 (CH2) | 21 |
| 4 (CH) | 44.2 |
| 5 (CH) | 123.6 |
| 6 (C) | 130.8 |
| 7 (CH) | 114.2 |
| 8 (C) | 156.9 |
| 9 (C) | 130.4 |
| 10 (C) | 144.2 |
| 11 (CH) | 39.6 |
| 12 (CH2) | 35 |
| 13 (CH2) | 27.7 |
| 14 (CH) | 126.1 |
| 15 (C) | 132.8 |
| 16 (CH3) | 26.3 |
| 17 (CH3) | 18.2 |
| 18 (CH3) | 19.6 |
| 19 (C) | 171 |
| 20 (CH2) | 66.9 |
| 20a (C) | 173.7 |
| 20b (CH3) | 21.3 |
