Spektraris NMR
ophiobolin H
Common Name: ophiobolin H
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C25H38O3/c1-16(2)7-6-8-17(3)19-11-12-23(4)13-21-22-18(9-10-20(19)23)14-28-25(22,27)15-24(21,5)26/h6-9,17,19-22,26-27H,10-15H2,1-5H3/b8-6-,18-9-/t17-,19+,20-,21-,22+,23+,24+,25-/m0/s1
InChIKey: InChIKey=IBUCSLMTZXQXRS-CNKIPQCUSA-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) | 35.9 |
| 2 (CH) | 50.9 |
| 3 (C) | 80 |
| 4 (CH2) | 50.8 |
| 5 (C) | 116.5 |
| 6 (CH) | 52.8 |
| 7 (C) | 138.8 |
| 8 (CH) | 123.3 |
| 9 (CH2) | 24.9 |
| 10 (CH) | 55 |
| 11 (C) | 43.5 |
| 12 (CH2) | 42.9 |
| 13 (CH2) | 26.6 |
| 14 (CH) | 47.1 |
| 15 (CH) | 35.5 |
| 16 (CH) | 137.9 |
| 17 (CH) | 121.7 |
| 18 (CH) | 120.3 |
| 19 (C) | 135 |
| 20 (CH3) | 25.6 |
| 21 (CH2) | 71.5 |
| 22 (CH3) | 18.7 |
| 23 (CH3) | 20.2 |
| 24 (CH3) | 18.1 |
| 25 (CH3) | 26.4 |
