Spektraris NMR
Vibsanin U
Common Name: Vibsanin U
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C25H38O7/c1-17(2)15-22(29)32-21-10-13-24(5,12-9-20(28)23(3,4)30)11-7-18(16-26)19(27)8-14-25(21,6)31/h7-8,10,13-15,20-21,26,28,30-31H,9,11-12,16H2,1-6H3/b13-10+,14-8+,18-7-/t20?,21-,24-,25-/m1/s1
InChIKey: InChIKey=GFAQUYIQNBAVAL-WQPDWFRBSA-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) | 45 |
| 2 (CH) | 129.3 |
| 3 (C) | 142.8 |
| 4 (C) | 202.2 |
| 5 (CH) | 128.8 |
| 6 (CH) | 154.3 |
| 7 (C) | 74.1 |
| 8 (CH) | 81.9 |
| 9 (CH) | 123.3 |
| 10 (CH) | 145.8 |
| 11 (C) | 40.5 |
| 12 (CH2) | 35.6 |
| 13 (CH2) | 26.3 |
| 14 (CH) | 78.6 |
| 15 (C) | 73.3 |
| 16 (CH3) | 23.1 |
| 17 (CH3) | 26.3 |
| 18 (CH2) | 65 |
| 19 (CH3) | 18.4 |
| 20 (CH3) | 22.8 |
| 8a (C) | 168.7 |
| 8b (CH) | 115.3 |
| 8c (C) | 159.5 |
| 8d (CH3) | 27.6 |
| 8ca (CH3) | 20.5 |
