Spektraris NMR
ophiobolin K
Common Name: ophiobolin K
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/h6-9,15,17,19-21,23,28H,10-14H2,1-5H3/b8-6-,18-9-/t17-,19+,20-,21-,23+,24+,25+/m0/s1
InChIKey: InChIKey=TXEVVAPERSDMTN-KAKRINCYSA-N
Formula: C25H36O3
Molecular Weight: 384.552479
Exact Mass: 384.266445
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) | 35.1 |
| 2 (CH) | 50.3 |
| 3 (C) | 76.9 |
| 4 (CH2) | 54.9 |
| 5 (C) | 217.2 |
| 6 (CH) | 48.6 |
| 7 (C) | 141.4 |
| 8 (CH) | 163.9 |
| 9 (CH2) | 25.5 |
| 10 (CH) | 53.6 |
| 11 (C) | 43.9 |
| 12 (CH2) | 42.6 |
| 13 (CH2) | 26.5 |
| 14 (CH) | 47.2 |
| 15 (CH) | 35.3 |
| 16 (CH) | 137.1 |
| 17 (CH) | 122.5 |
| 18 (CH) | 120 |
| 19 (C) | 136.1 |
| 20 (CH3) | 25.7 |
| 21 (CH) | 196.2 |
| 22 (CH3) | 18.7 |
| 23 (CH3) | 20.4 |
| 24 (CH3) | 18.1 |
| 25 (CH3) | 26.6 |
