Spektraris NMR
Vibsanin W
Common Name: Vibsanin W
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C25H38O7/c1-16(2)13-22(29)32-12-9-20-19(14-17(3)27)23(30)18(15-26)7-10-25(20,6)11-8-21(28)24(4,5)31/h7,9,12-13,19-21,26,28,31H,8,10-11,14-15H2,1-6H3/b12-9+/t19-,20-,21?,25+/m0/s1
InChIKey: InChIKey=QITBJTPHBLIQAN-SGVLUOOISA-N
Formula: C25H38O7
Molecular Weight: 450.565981
Exact Mass: 450.261754
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) | 36.3 |
| 2 (CH) | 138.9 |
| 3 (C) | 142.2 |
| 4 (C) | 205.6 |
| 5 (CH) | 48.3 |
| 6 (CH2) | 44.1 |
| 7 (C) | 208.1 |
| 8 (CH) | 137.4 |
| 9 (CH) | 112.9 |
| 10 (CH) | 46.1 |
| 11 (C) | 40.1 |
| 12 (CH2) | 37.2 |
| 13 (CH2) | 26.2 |
| 14 (CH) | 79.1 |
| 15 (C) | 73.1 |
| 16 (CH3) | 24.3 |
| 17 (CH3) | 24.3 |
| 18 (CH2) | 63.6 |
| 19 (CH3) | 31 |
| 20 (CH3) | 23.8 |
| 8a (C) | 163.1 |
| 8b (CH) | 114.6 |
| 8c (C) | 160.6 |
| 8d (CH3) | 27.7 |
| 8ca (CH3) | 20.6 |
