Spektraris NMR
18-O-Methyl-5-epi-vibsanin K
Common Name: 18-O-Methyl-5-epi-vibsanin K
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C26H38O7/c1-18(2)15-23(28)32-14-10-22-21(16-19(3)27)24(29)20(17-31-7)9-13-26(22,6)12-8-11-25(4,5)33-30/h8-11,14-15,21-22,30H,12-13,16-17H2,1-7H3/b11-8+,14-10+/t21-,22+,26+/m1/s1
InChIKey: InChIKey=FLCCFFRXIUCVFQ-KAQDVGGXSA-N
Formula: C26H38O7
Molecular Weight: 462.576716
Exact Mass: 462.261754
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) | 39 |
| 2 (CH) | 138.9 |
| 3 (C) | 141.4 |
| 4 (C) | 202.1 |
| 5 (CH) | 48.2 |
| 6 (CH2) | 43.9 |
| 7 (C) | 206.2 |
| 8 (CH) | 137 |
| 9 (CH) | 111.9 |
| 10 (CH) | 46.1 |
| 11 (C) | 41 |
| 12 (CH2) | 45.1 |
| 13 (CH) | 126 |
| 14 (CH) | 139.7 |
| 15 (C) | 81.6 |
| 16 (CH3) | 25.8 |
| 17 (CH3) | 24.5 |
| 18 (CH2) | 72.2 |
| 19 (CH3) | 29.1 |
| 20 (CH3) | 25 |
| 8a (C) | 163.3 |
| 8b (CH) | 114.9 |
| 8c (C) | 160.1 |
| 8d (CH3) | 27 |
| 8ca (CH3) | 20.2 |
| 18a (CH3) | 56.3 |
