Spektraris NMR
Jaspiferal C
Common Name: Jaspiferal C
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C25H34O5/c1-15(14-26)7-6-8-16(2)21-17(27)13-19-23(3)12-10-20(28)25(5,22(29)30)18(23)9-11-24(19,21)4/h6-8,14,18-20,28H,9-13H2,1-5H3,(H,29,30)/b8-6+,15-7+,21-16+/t18-,19+,20-,23+,24+,25-/m1/s1
InChIKey: InChIKey=HCIWWVNPRCVKFX-MQDHWQLTSA-N
Formula: C25H34O5
Molecular Weight: 414.535408
Exact Mass: 414.240624
NMR Solvent: CDCl3
MHz:
Calibration:
NMR references: 13C - Kobayashi, J., Yuasa, K., Kobayashi, T., Sasaki, T., Tsuda, M. Tetrahedron (1996) 52, 5745-50
Species:
Notes: Family : Terpenoids, Type : Sesterterpenoids, Group : Isomalabaricanes; 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) | 28.7 |
| 2 (CH2) | 27.3 |
| 3 (CH) | 70.3 |
| 4 (C) | 47.5 |
| 5 (CH) | 40.2 |
| 6 (CH2) | 20.1 |
| 7 (CH2) | 40.1 |
| 8 (C) | 44.9 |
| 9 (CH) | 49.2 |
| 10 (C) | 35.9 |
| 11 (CH2) | 36.8 |
| 12 (C) | 208.5 |
| 13 (C) | 149.7 |
| 14 (C) | 140.6 |
| 15 (CH) | 140.7 |
| 16 (CH) | 127.9 |
| 17 (CH) | 149.4 |
| 18 (CH3) | 15.8 |
| 19 (CH3) | 19.7 |
| 20 (C) | 138.9 |
| 21 (CH3) | 9.4 |
| 22 (CH) | 195.2 |
| 28 (CH3) | 23.5 |
| 29 (C) | 180.5 |
| 30 (CH3) | 24.2 |
