Spektraris NMR
6-epi-ophiobolin C
Common Name: 6-epi-ophiobolin C
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C25H38O3/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/h7,9,15,17,19-21,23,28H,6,8,10-14H2,1-5H3/b18-9-/t17-,19+,20-,21-,23-,24+,25+/m0/s1
InChIKey: InChIKey=PLWMYIADTRHIMY-KMVQLOOXSA-N
Formula: C25H38O3
Molecular Weight: 386.568361
Exact Mass: 386.282095
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) | 41.6 |
| 2 (CH) | 49.7 |
| 3 (C) | 76.7 |
| 4 (CH2) | 55.2 |
| 5 (C) | 217.1 |
| 6 (CH) | 49.1 |
| 7 (C) | 142 |
| 8 (CH) | 159.8 |
| 9 (CH2) | 31.2 |
| 10 (CH) | 43.3 |
| 11 (C) | 44.6 |
| 12 (CH2) | 45.7 |
| 13 (CH2) | 27.4 |
| 14 (CH) | 51.8 |
| 15 (CH) | 32.2 |
| 16 (CH2) | 37.2 |
| 17 (CH2) | 26 |
| 18 (CH) | 124.7 |
| 19 (C) | 131.7 |
| 20 (CH3) | 26.1 |
| 21 (CH) | 194.5 |
| 22 (CH3) | 23.7 |
| 23 (CH3) | 18.9 |
| 24 (CH3) | 18 |
| 25 (CH3) | 25.9 |
