Spektraris NMR
6-epiophiobolin
Common Name: 6-epiophiobolin
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C25H36O3/c1-16(2)7-6-8-17(3)19-11-12-24(4)13-21-23(22(27)14-25(21,5)28)18(15-26)9-10-20(19)24/h7,9,11,15,17,20-21,23,28H,6,8,10,12-14H2,1-5H3/b18-9-/t17-,20-,21-,23-,24+,25+/m0/s1
InChIKey: InChIKey=YVGINRGIDPTPQF-KYLXOVSBSA-N
Formula: C25H36O3
Molecular Weight: 384.552479
Exact Mass: 384.266445
NMR Solvent: CDCl3
MHz:
Calibration:
NMR references: 13C - Tsipouras, A., Adefarati, A.A., Tkacz, J.S., Frazier, E.G., Rohrer, S.P., E.Birzin, Rosegay, A., Zink, D.L., Geotz, M.A., Singh, S.B., Schaeffer, J.M. Bioorg Med Chem (1996) 4, 531-6
Species:
Notes: Family : Terpenoids, Type : Sesterterpenoids, Group : Ophiobolanes; 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) | 41.8 |
| 2 (CH) | 49.8 |
| 3 (C) | 76.9 |
| 4 (CH2) | 55.1 |
| 5 (C) | 217.5 |
| 6 (CH) | 49 |
| 7 (C) | 142.2 |
| 8 (CH) | 158.8 |
| 9 (CH2) | 32.5 |
| 10 (CH) | 51.3 |
| 11 (C) | 44.3 |
| 12 (CH2) | 51.7 |
| 13 (CH) | 120.3 |
| 14 (C) | 149.3 |
| 15 (CH) | 31.6 |
| 16 (CH2) | 35.2 |
| 17 (CH2) | 25.1 |
| 18 (CH) | 124.3 |
| 19 (C) | 131.7 |
| 20 (CH3) | 25.9 |
| 21 (CH) | 194 |
| 22 (CH3) | 22.8 |
| 23 (CH3) | 18.1 |
| 24 (CH3) | 17.7 |
| 25 (CH3) | 25.7 |
