Spektraris NMR
Rigidusol
Common Name: Rigidusol
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C22H36O3/c1-7-20(4,24)13-14-21(5)16(2)11-12-22(6)18(15-25-17(3)23)9-8-10-19(21)22/h7,9,16,19,24H,1,8,10-15H2,2-6H3/t16-,19-,20?,21+,22-/m1/s1
InChIKey: InChIKey=HMSAXXCDLFKNRA-XVWBHSSWSA-N
Formula: C22H36O3
Molecular Weight: 348.520272
Exact Mass: 348.266445
NMR Solvent: CDCl3
MHz:
Calibration:
NMR references: 13C - Morales, G., Sierra, P., Loyola, L.A., Borquez, J. Phytochemistry (2000) 55, 863-6
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) | 17.55 |
| 2 (CH2) | 24.3 |
| 3 (CH) | 129.57 |
| 4 (C) | 138.38 |
| 5 (C) | 36.59 |
| 6 (CH2) | 37.7 |
| 7 (CH2) | 28.78 |
| 8 (CH) | 37.46 |
| 9 (C) | 40.13 |
| 10 (CH) | 45.36 |
| 11 (CH2) | 31.9 |
| 12 (CH2) | 35.39 |
| 13 (C) | 73.77 |
| 14 (CH) | 145.43 |
| 15 (CH2) | 112.21 |
| 16 (CH3) | 27.98 |
| 17 (CH3) | 16.22 |
| 18 (CH2) | 67 |
| 19 (CH3) | 34.98 |
| 20 (CH3) | 17.77 |
| 18a (C) | 171.31 |
| 18b (CH3) | 21.54 |
