Spektraris NMR
Bisnubenolide
Common Name: Bisnubenolide
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C30H30O8/c1-9-7-15(31)19-11(3)21(27-23(25(33)17(9)19)13(5)29(35)37-27)22-12(4)20-16(32)8-10(2)18(20)26(34)24-14(6)30(36)38-28(22)24/h7-8,17-18,21-22,25-28,33-34H,1-6H3/t17-,18+,21-,22+,25+,26-,27-,28+
InChIKey: InChIKey=FAXNIHZOESRKGW-MYUYOZARSA-N
Formula: C30H30O8
Molecular Weight: 518.555539
Exact Mass: 518.194068
NMR Solvent: CDCl3
MHz:
Calibration:
NMR references: 13C - Ali, M.S., Ahmed, W., Armstrong, A.F., Ibrahim, S.A., Ahmed, S., Parvez, M. Chem Pharm Bull (2006) 54, 1235-8
Species:
Notes: Family : Terpenoids, Type : Sesquiterpenoids, Group : Guaianes; 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 (C) | 134.6 |
| 2 (C) | 196.6 |
| 3 (CH) | 134.7 |
| 4 (C) | 173.7 |
| 5 (CH) | 52.7 |
| 6 (CH) | 74.5 |
| 7 (C) | 163.8 |
| 8 (CH) | 77.3 |
| 9 (CH) | 41.3 |
| 10 (C) | 142.5 |
| 11 (C) | 122.8 |
| 12 (C) | 174.6 |
| 13 (CH3) | 9.4 |
| 14 (CH3) | 20.4 |
| 15 (CH3) | 20.1 |
| 1' (C) | 134.6 |
| 2' (C) | 196.6 |
| 3' (CH) | 134.7 |
| 4' (C) | 173.7 |
| 5' (CH) | 52.7 |
| 6' (CH) | 74.5 |
| 7' (C) | 163.8 |
| 8' (CH) | 77.3 |
| 9' (CH) | 41.3 |
| 10' (C) | 142.5 |
| 11' (C) | 122.8 |
| 12' (C) | 174.6 |
| 13' (CH3) | 9.4 |
| 14' (CH3) | 20.4 |
| 15' (CH3) | 20.1 |
