Spektraris NMR
6-epi-ophiobolin N
Common Name: 6-epi-ophiobolin N
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C25H36O2/c1-16(2)7-6-8-17(3)20-11-12-25(5)14-21-18(4)13-23(27)24(21)19(15-26)9-10-22(20)25/h7,9,13,15,17,20-22,24H,6,8,10-12,14H2,1-5H3/b19-9-/t17-,20+,21+,22-,24-,25+/m0/s1
InChIKey: InChIKey=YHDCEAQTLJKEIK-PFQMJOEJSA-N
Formula: C25H36O2
Molecular Weight: 368.553074
Exact Mass: 368.27153
NMR Solvent: CDCl3
MHz:
Calibration:
NMR references: 13C - Wei, H., Itoh, T., Kinoshita, M., Nakai, Y., Kurotaki, M., Kobayashi, M. Tetrahedron (2004) 60, 6015-9
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) | 45.8 |
| 2 (CH) | 49 |
| 3 (C) | 177.5 |
| 4 (CH) | 130.2 |
| 5 (C) | 207.4 |
| 6 (CH) | 50 |
| 7 (C) | 140.4 |
| 8 (CH) | 156.9 |
| 9 (CH2) | 31 |
| 10 (CH) | 43.1 |
| 11 (C) | 45 |
| 12 (CH2) | 44.6 |
| 13 (CH2) | 27.1 |
| 14 (CH) | 51.5 |
| 15 (CH) | 31.8 |
| 16 (CH2) | 37.2 |
| 17 (CH2) | 25.7 |
| 18 (CH) | 124.4 |
| 19 (C) | 131.6 |
| 20 (CH3) | 17.2 |
| 21 (CH) | 193 |
| 22 (CH3) | 23.1 |
| 23 (CH3) | 18.6 |
| 24 (CH3) | 17.7 |
| 25 (CH3) | 25.7 |
