Spektraris NMR
5-epi-Vibsanin C
Common Name: 5-epi-Vibsanin C
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C25H36O5/c1-17(2)8-7-11-25(6)12-9-20(16-26)24(29)21(15-19(5)27)22(25)10-13-30-23(28)14-18(3)4/h8-10,13-14,21-22,26H,7,11-12,15-16H2,1-6H3/b13-10+/t21-,22+,25+/m1/s1
InChIKey: InChIKey=FUJYXGPHSQJMJL-HJYVJTDLSA-N
Formula: C25H36O5
Molecular Weight: 416.551289
Exact Mass: 416.256274
NMR Solvent: C6D6
MHz:
Calibration:
NMR references: 13C - Fukuyama, Y., Minami, H., Matsuo, A., Kitamura, K., Akizuki, M., Kubo, M., Kodama, M. Chem Pharm Bull (2002) 50, 368-71
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) | 38.7 |
| 2 (CH) | 138.6 |
| 3 (C) | 143.9 |
| 4 (C) | 203.7 |
| 5 (CH) | 48.3 |
| 6 (CH2) | 44.3 |
| 7 (C) | 205.7 |
| 8 (CH) | 137.7 |
| 9 (CH) | 111.7 |
| 10 (CH) | 47.7 |
| 11 (C) | 42.7 |
| 12 (CH2) | 40.5 |
| 13 (CH2) | 22.7 |
| 14 (CH) | 124.9 |
| 15 (C) | 131.4 |
| 16 (CH3) | 17.7 |
| 17 (CH3) | 25.8 |
| 18 (CH2) | 64.2 |
| 19 (CH3) | 29.7 |
| 20 (CH3) | 24.6 |
| 8a (C) | 163.2 |
| 8b (CH) | 115 |
| 8c (C) | 160.1 |
| 8d (CH3) | 27 |
| 8ca (CH3) | 20.2 |
