Spektraris NMR
Vibsanin Q
Common Name: Vibsanin Q
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C26H40O5/c1-19(2)17-23(28)30-21-12-16-25(5,14-8-13-24(3,4)29-7)15-11-20(18-27)9-10-22-26(21,6)31-22/h8,11-13,16-17,21-22,27H,9-10,14-15,18H2,1-7H3/b13-8+,16-12+,20-11+/t21-,22+,25+,26+/m1/s1
InChIKey: InChIKey=TVVRWBNLBVCRPH-XYBUGXQZSA-N
Formula: C26H40O5
Molecular Weight: 432.593788
Exact Mass: 432.287574
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) | 41.1 |
| 2 (CH) | 120.5 |
| 3 (C) | 142 |
| 4 (CH2) | 23.3 |
| 5 (CH2) | 26.4 |
| 6 (CH) | 63.1 |
| 7 (C) | 61.3 |
| 8 (CH) | 77.7 |
| 9 (CH) | 121.4 |
| 10 (CH) | 146.2 |
| 11 (C) | 40 |
| 12 (CH2) | 41.9 |
| 13 (CH) | 126.3 |
| 14 (CH) | 138.2 |
| 15 (C) | 75 |
| 16 (CH3) | 25.8 |
| 17 (CH3) | 26.1 |
| 18 (CH2) | 66.1 |
| 19 (CH3) | 17.7 |
| 20 (CH3) | 23.6 |
| 8a (C) | 165.2 |
| 8b (CH) | 116 |
| 8c (C) | 157.2 |
| 8d (CH3) | 27.4 |
| 8ca (CH3) | 20.2 |
| 15a (CH3) | 50.3 |
