Spektraris NMR
Vibsanin R
Common Name: Vibsanin R
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C25H36O4/c1-18(2)8-7-13-24(5)14-11-20(17-26)9-10-22-25(6,29-22)21(12-15-24)28-23(27)16-19(3)4/h7-8,11-12,15-16,21-22,26H,1,9-10,13-14,17H2,2-6H3/b8-7+,15-12+,20-11+/t21-,22+,24+,25+/m1/s1
InChIKey: InChIKey=CZECWCCJJGKHQY-HFHNTLNYSA-N
Formula: C25H36O4
Molecular Weight: 400.551884
Exact Mass: 400.26136
NMR Solvent: CDCl3
MHz:
Calibration:
NMR references: 13C - El-Gamal, A.A., Wang, S.K., Duh, C.Y. J Nat Prod (2004) 67, 333-6
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) | 40.7 |
| 2 (CH) | 120.6 |
| 3 (C) | 142.1 |
| 4 (CH2) | 23.2 |
| 5 (CH2) | 27.4 |
| 6 (CH) | 63 |
| 7 (C) | 61.2 |
| 8 (CH) | 77.8 |
| 9 (CH) | 121.2 |
| 10 (CH) | 146.2 |
| 11 (C) | 40.2 |
| 12 (CH2) | 42.1 |
| 13 (CH) | 126.6 |
| 14 (CH) | 135.5 |
| 15 (C) | 141.9 |
| 16 (CH3) | 18.7 |
| 17 (CH2) | 114.7 |
| 18 (CH2) | 66 |
| 19 (CH3) | 17.7 |
| 20 (CH3) | 23.5 |
| 8a (C) | 165.2 |
| 8b (CH) | 116 |
| 8c (C) | 154.3 |
| 8d (CH3) | 26.3 |
| 8ca (CH3) | 20.2 |
