Spektraris NMR
Vibsanin T
Common Name: Vibsanin T
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C25H36O5/c1-18(2)16-22(27)29-20-11-15-24(5,13-7-12-23(3,4)28)14-10-19(17-26)8-9-21-25(20,6)30-21/h7,10-12,15-17,20-21,28H,8-9,13-14H2,1-6H3/b12-7+,15-11+,19-10+/t20-,21+,24+,25+/m1/s1
InChIKey: InChIKey=ZCZKJKIOPWIFME-XWMBFTBISA-N
Formula: C25H36O5
Molecular Weight: 416.551289
Exact Mass: 416.256274
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) | 42.4 |
| 2 (CH) | 149.6 |
| 3 (C) | 146 |
| 4 (CH2) | 25.9 |
| 5 (CH2) | 25.9 |
| 6 (CH) | 62.6 |
| 7 (C) | 61.1 |
| 8 (CH) | 78.4 |
| 9 (CH) | 122.1 |
| 10 (CH) | 145 |
| 11 (C) | 41.1 |
| 12 (CH2) | 42.4 |
| 13 (CH) | 122.1 |
| 14 (CH) | 142.2 |
| 15 (C) | 70.4 |
| 16 (CH3) | 29.2 |
| 17 (CH3) | 29.9 |
| 18 (CH) | 195 |
| 19 (CH3) | 17.7 |
| 20 (CH3) | 22.9 |
| 8a (C) | 165.6 |
| 8b (CH) | 116 |
| 8c (C) | 157.5 |
| 8d (CH3) | 27.5 |
| 8ca (CH3) | 20.4 |
