Spektraris NMR
18-Episcalaradial
Common Name: 18-Episcalaradial
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C27H40O4/c1-17(30)31-23-14-22-25(4)12-7-11-24(2,3)20(25)10-13-26(22,5)21-9-8-18(15-28)19(16-29)27(21,23)6/h8,15-16,19-23H,7,9-14H2,1-6H3/t19-,20+,21+,22-,23+,25+,26+,27-/m1/s1
InChIKey: InChIKey=ADWFEADZGIHPDE-XPLKLAHXSA-N
Formula: C27H40O4
Molecular Weight: 428.605119
Exact Mass: 428.29266
NMR Solvent: CDCl3
MHz:
Calibration:
NMR references: 13C - Rueda, A., Zubia, E., Ortega, M.J., Carballo, J.L., Salva, J. J Org Chem (1997) 62, 1481-5
Species:
Notes: Family : Terpenoids, Type : Sesterterpenoids, Group : Scalaranes; 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) | 39.6 |
| 2 (CH2) | 18.4 |
| 3 (CH2) | 42 |
| 4 (C) | 33.3 |
| 5 (CH) | 56.4 |
| 6 (CH2) | 18 |
| 7 (CH2) | 41.3 |
| 8 (C) | 36.8 |
| 9 (CH) | 52.3 |
| 10 (C) | 37.8 |
| 11 (CH2) | 22.4 |
| 12 (CH) | 76.9 |
| 13 (C) | 41.9 |
| 14 (CH) | 45.2 |
| 15 (CH2) | 25.1 |
| 16 (CH) | 152.8 |
| 17 (C) | 136 |
| 18 (CH) | 56.5 |
| 19 (CH3) | 33.2 |
| 20 (CH3) | 21.3 |
| 21 (CH3) | 16.2 |
| 22 (CH3) | 16.4 |
| 23 (CH3) | 21.8 |
| 24 (CH) | 191.5 |
| 25 (CH) | 195.9 |
| 12a (C) | 169.4 |
| 12b (CH3) | 21.3 |
