Spektraris NMR
CHEMBL476286
Common Name: CHEMBL476286
Synonyms: CHEMBL476286
CAS Registry Number:
InChI: InChI=1S/C22H36O3/c1-9-22(8)13-12-18(14-19(22)15(2)3)16(4)10-11-20(21(6,7)24)25-17(5)23/h9-10,18-20,24H,1-2,11-14H2,3-8H3/b16-10+/t18-,19+,20+,22-/m0/s1
InChIKey: InChIKey=NSAAWTDAMZJSEO-RMQVCNTQSA-N
Formula: C22H36O3
Molecular Weight: 348.520272
Exact Mass: 348.266445
NMR Solvent: CDCl3
MHz:
Calibration:
NMR references: 13C - Edrada, R.A., Proksch, P., Wray, V., Witte, L., van Ofwegen, L. J Nat Prod (1998) 61, 358-61
Species:
Notes: Family : Terpenoids, Type : Diterpenoids, Group : Lobanes; 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 (C) | 39.7 |
| 2 (CH) | 52.7 |
| 3 (CH2) | 32.8 |
| 4 (CH) | 47.6 |
| 5 (CH2) | 26.7 |
| 6 (CH2) | 39.9 |
| 7 (CH3) | 16.5 |
| 8 (CH) | 150.3 |
| 9 (CH2) | 111.8 |
| 10 (C) | 147.7 |
| 11 (CH2) | 109.8 |
| 12 (CH3) | 25.2 |
| 13 (C) | 142.4 |
| 14 (CH3) | 24.8 |
| 15 (CH) | 118.4 |
| 16 (CH2) | 28.2 |
| 17 (CH) | 79.6 |
| 18 (C) | 72.3 |
| 19 (CH3) | 26.8 |
| 20 (CH3) | 26.8 |
| 17a (C) | 170.8 |
| 17b (CH3) | 21 |
