Spektraris NMR
SMR001317985
Common Name: SMR001317985
Synonyms: SMR001317985
CAS Registry Number:
InChI: InChI=1S/C24H32O4/c1-12(2)10-18-11-14(4)19-9-8-13(3)20-22(19)21(18)15(5)23(27-16(6)25)24(20)28-17(7)26/h10,13-14,18-19H,8-9,11H2,1-7H3/t13-,14-,18+,19+/m0/s1
InChIKey: InChIKey=QLLOUAUHHICTIN-YXUGBTPSSA-N
Formula: C24H32O4
Molecular Weight: 384.509385
Exact Mass: 384.23006
NMR Solvent: CDCl3
MHz:
Calibration:
NMR references: 13C - Duque, C., Puyana, M., Castellanos, L., Arias, A., Correa, H., Osorno, O., Asai, T., Hara, N., Fujimoto, Y. Tetrahedron (2006) 62, 4205-13
Species:
Notes: Family : Terpenoids, Type : Diterpenoids, Group : Amphilectanes; 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) | 37.4 |
| 2 (CH2) | 39.9 |
| 3 (CH) | 33.6 |
| 4 (CH) | 44.2 |
| 5 (CH2) | 27.2 |
| 6 (CH2) | 31.3 |
| 7 (CH) | 28.7 |
| 8 (C) | 132.4 |
| 9 (C) | 138.8 |
| 10 (C) | 139.5 |
| 11 (C) | 128 |
| 12 (C) | 137 |
| 13 (C) | 137.9 |
| 14 (CH) | 130.2 |
| 15 (C) | 129.2 |
| 16 (CH3) | 25.4 |
| 17 (CH3) | 17.5 |
| 18 (CH3) | 19.9 |
| 19 (CH3) | 23.3 |
| 20 (CH3) | 12.9 |
| 9a (C) | 168.6 |
| 9b (CH3) | 20.4 |
| 10a (C) | 168.3 |
| 10b (CH3) | 20.6 |
