Spektraris NMR
Drimanial
Common Name: Drimanial
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C25H30O6/c1-23(2)13-12-21(24(3)20(16-27)18(15-26)11-14-25(23,24)29)31-22(28)10-7-17-5-8-19(30-4)9-6-17/h5-11,15-16,20-21,29H,12-14H2,1-4H3/b10-7+/t20-,21+,24-,25+/m0/s1
InChIKey: InChIKey=ZQYOVSWUNPPKMW-OVKSSVTDSA-N
Formula: C25H30O6
Molecular Weight: 426.50305
Exact Mass: 426.204239
NMR Solvent: CD3COCD3
MHz:
Calibration:
NMR references: 13C - Malheiros, A., Filho, V.C., Schmitt, C.B., Santos, A.R.S., Scheidt, C., Calixto, J.B., Monache, F.D., Yunes, R.A. Phytochemistry (2001) 57, 103-7
Species:
Notes: Family : Terpenoids, Type : Sesquiterpenoids, Group : Drimanes; 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) | 77.6 |
| 2 (CH2) | 25 |
| 3 (CH2) | 35.1 |
| 4 (C) | 38.9 |
| 5 (C) | 78.1 |
| 6 (CH2) | 32.6 |
| 7 (CH) | 150.7 |
| 8 (C) | 141.4 |
| 9 (CH) | 56.3 |
| 10 (C) | 47.4 |
| 11 (CH) | 201.2 |
| 12 (CH) | 193.2 |
| 13 (CH3) | 27.7 |
| 14 (CH3) | 25.6 |
| 15 (CH3) | 13.5 |
| 1' (C) | 166.4 |
| 2' (CH) | 116.7 |
| 3' (CH) | 145.2 |
| 4' (C) | 127.9 |
| 5' (CH) | 130.8 |
| 6' (CH) | 115.2 |
| 7' (C) | 162.5 |
| 8' (CH) | 115.2 |
| 9' (CH) | 130.8 |
| 7'a (CH3) | 55.6 |
