Spektraris NMR
Vibsanin E
Common Name: Vibsanin E
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C25H36O5/c1-15(2)11-22(27)29-10-8-21-17(12-16(3)26)23(28)19-14-30-24(4,5)20-7-9-25(21,6)13-18(19)20/h8,10-11,17-21H,7,9,12-14H2,1-6H3/b10-8+/t17-,18+,19+,20?,21-,25-/m0/s1
InChIKey: InChIKey=FXXKPLFBIHAEOU-IZUOIJHSSA-N
Formula: C25H36O5
Molecular Weight: 416.551289
Exact Mass: 416.256274
NMR Solvent: C6D6
MHz:
Calibration:
NMR references: 13C - Fukuyama, Y., Minami, H., Kagawa, M., Kodama, M., Kawazu, K. J Nat Prod (1999) 62, 337-9
Species:
Notes: Family : Terpenoids, Type : Diterpenoids, Group : Vibsanes; 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) | 41.3 |
| 2 (CH) | 29.8 |
| 3 (CH) | 50.1 |
| 4 (C) | 212.9 |
| 5 (CH) | 47.7 |
| 6 (CH2) | 46.1 |
| 7 (C) | 206.9 |
| 8 (CH) | 135.1 |
| 9 (CH) | 116.3 |
| 10 (CH) | 46 |
| 11 (C) | 34.9 |
| 12 (CH2) | 42.4 |
| 13 (CH2) | 19.1 |
| 14 (CH) | 43.4 |
| 15 (C) | 72.5 |
| 16 (CH3) | 23.3 |
| 17 (CH3) | 28.3 |
| 18 (CH2) | 59.2 |
| 19 (CH3) | 29.5 |
| 20 (CH3) | 31.9 |
| 8a (C) | 163.2 |
| 8b (CH) | 115.1 |
| 8c (C) | 159.8 |
| 8d (CH3) | 27.3 |
| 8ca (CH3) | 20.3 |
