Spektraris NMR
Diversolide A
Common Name: Diversolide A
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C25H30O7/c1-8-12(3)22(27)30-17-11-15(6)18-16(26)10-14(5)19(18)21-20(17)25(7,24(29)31-21)32-23(28)13(4)9-2/h8-10,17,19-21H,11H2,1-7H3/b12-8-,13-9-/t17-,19+,20+,21-,25-/m0/s1
InChIKey: InChIKey=SRYAYZOSNMNVNQ-ZYZJRFADSA-N
Formula: C25H30O7
Molecular Weight: 442.502455
Exact Mass: 442.199153
NMR Solvent: CDCl3
MHz:
Calibration:
NMR references: 13C - Iranshahi, M., Hosseini, S.T., Shahverdi, A.R., Molazade, K., Khan, S.S., Ahmad, V.U. Phytochemistry (2008) 69, 2753-7
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) | 129.1 |
| 2 (C) | 194.9 |
| 3 (CH) | 136.1 |
| 4 (C) | 169.2 |
| 5 (CH) | 48.1 |
| 6 (CH) | 78.6 |
| 7 (CH) | 47.6 |
| 8 (CH) | 67.1 |
| 9 (CH2) | 44.3 |
| 10 (C) | 144.9 |
| 11 (C) | 77.8 |
| 12 (C) | 173.4 |
| 13 (CH3) | 20.5 |
| 14 (CH3) | 19.9 |
| 15 (CH3) | 20 |
| 8a (C) | 166.4 |
| 8b (C) | 126.4 |
| 8c (CH) | 140.4 |
| 8d (CH3) | 15.8 |
| 8ba (CH3) | 20.2 |
| 11a (C) | 166.6 |
| 11b (C) | 126.9 |
| 11c (CH) | 141.4 |
| 11d (CH3) | 15.9 |
| 11ba (CH3) | 20.2 |
