Spektraris NMR
Salvigresin
Common Name: Salvigresin
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C24H30O8/c1-13-20(32-15(3)26)10-24-12-30-22(28)18(24)7-17(31-14(2)25)8-21(24)23(13,4)9-19(27)16-5-6-29-11-16/h5-7,11,13,17,19-21,27H,8-10,12H2,1-4H3/t13-,17-,19-,20+,21-,23+,24-/m1/s1
InChIKey: InChIKey=QNEVSNMXAPYPNG-NPFDRDSRSA-N
Formula: C24H30O8
Molecular Weight: 446.491124
Exact Mass: 446.194068
NMR Solvent: CDCl3
MHz:
Calibration:
NMR references: 13C - Kawahara, N., Inoue, M., Kawai, K., Sekita, S., Satake, M., Goda, Y. Phytochemistry (2003) 63, 859-62
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) | 24.9 |
| 2 (CH) | 66.3 |
| 3 (CH) | 128.2 |
| 4 (C) | 144 |
| 5 (C) | 44.8 |
| 6 (CH2) | 37.5 |
| 7 (CH) | 73.5 |
| 8 (CH) | 40.3 |
| 9 (C) | 38.3 |
| 10 (CH) | 40.6 |
| 11 (CH2) | 45.6 |
| 12 (CH) | 63.4 |
| 13 (C) | 130.7 |
| 14 (CH) | 108 |
| 15 (CH) | 143.9 |
| 16 (CH) | 138 |
| 17 (CH3) | 11.7 |
| 18 (C) | 168.2 |
| 19 (CH2) | 71 |
| 20 (CH3) | 19.1 |
| 2a (C) | 169.9 |
| 2b (CH3) | 20.9 |
| 7a (C) | 169.9 |
| 7b (CH3) | 21.3 |
