Spektraris NMR
Vibsanin S
Common Name: Vibsanin S
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C25H38O5/c1-17(2)15-23(28)29-21-11-14-24(5,13-10-20(27)18(3)4)12-9-19(16-26)7-8-22-25(21,6)30-22/h9,11,14-15,20-22,26-27H,3,7-8,10,12-13,16H2,1-2,4-6H3/b14-11+,19-9+/t20?,21-,22+,24-,25+/m1/s1
InChIKey: InChIKey=DKSGHWFSPWAVLA-SZKYJHLSSA-N
Formula: C25H38O5
Molecular Weight: 418.567171
Exact Mass: 418.271924
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) | 42.3 |
| 2 (CH) | 120.8 |
| 3 (C) | 141.8 |
| 4 (CH2) | 23.2 |
| 5 (CH2) | 26.4 |
| 6 (CH) | 63.1 |
| 7 (C) | 61.3 |
| 8 (CH) | 78.1 |
| 9 (CH) | 121.1 |
| 10 (CH) | 147.9 |
| 11 (C) | 39.5 |
| 12 (CH2) | 30.1 |
| 13 (CH2) | 35 |
| 14 (CH) | 75.5 |
| 15 (C) | 147.2 |
| 16 (CH2) | 110.5 |
| 17 (CH3) | 18 |
| 18 (CH2) | 66.2 |
| 19 (CH3) | 17.7 |
| 20 (CH3) | 23.2 |
| 8a (C) | 165.5 |
| 8b (CH) | 116.1 |
| 8c (C) | 157.2 |
| 8d (CH3) | 27.5 |
| 8ca (CH3) | 20.3 |
