Spektraris NMR
Jaspiferal E
Common Name: Jaspiferal E
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C22H30O5/c1-13(6-5-11-23)18-14(24)12-16-20(2)10-8-17(25)22(4,19(26)27)15(20)7-9-21(16,18)3/h5-6,11,15-17,25H,7-10,12H2,1-4H3,(H,26,27)/b6-5+,18-13+/t15-,16+,17-,20+,21+,22-/m1/s1
InChIKey: InChIKey=YHMYMBINWXFRSP-KEXGPUDKSA-N
Formula: C22H30O5
Molecular Weight: 374.471437
Exact Mass: 374.209324
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) | 70.2 |
| 4 (C) | 47.5 |
| 5 (CH) | 40.2 |
| 6 (CH2) | 20.2 |
| 7 (CH2) | 38.1 |
| 8 (C) | 45.1 |
| 9 (CH) | 49.2 |
| 10 (C) | 35.9 |
| 11 (CH2) | 36.5 |
| 12 (C) | 207.4 |
| 13 (C) | 152.6 |
| 14 (C) | 137.4 |
| 15 (CH) | 151.6 |
| 16 (CH) | 132 |
| 17 (CH) | 195.4 |
| 18 (CH3) | 15.8 |
| 19 (CH3) | 19.7 |
| 28 (CH3) | 23.5 |
| 29 (C) | 180.3 |
| 30 (CH3) | 23.9 |
