Spektraris NMR
Diversolide E
Common Name: Diversolide E
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C29H32O9/c1-8-14(2)26(31)38-29(5)24-21(36-27(32)17-9-10-19(34-6)20(13-17)35-7)12-16(4)22-18(30)11-15(3)23(22)25(24)37-28(29)33/h8-11,13,21,23-25H,12H2,1-7H3/b14-8-/t21-,23+,24+,25-,29-/m0/s1
InChIKey: InChIKey=UIJZXHZBUHQMMR-XWPJAPBASA-N
Formula: C29H32O9
Molecular Weight: 524.560089
Exact Mass: 524.204633
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) | 130.2 |
| 2 (C) | 195.3 |
| 3 (CH) | 136.2 |
| 4 (C) | 170.7 |
| 5 (CH) | 48.3 |
| 6 (CH) | 79.4 |
| 7 (CH) | 48.3 |
| 8 (CH) | 69 |
| 9 (CH2) | 44.2 |
| 10 (C) | 145.4 |
| 11 (C) | 78.9 |
| 12 (C) | 174 |
| 13 (CH3) | 20.7 |
| 14 (CH3) | 19.7 |
| 15 (CH3) | 20.1 |
| 8a (C) | 165.6 |
| 8b (C) | 122.7 |
| 8c (CH) | 113.2 |
| 8d (C) | 150 |
| 8e (C) | 155 |
| 8f (CH) | 111.6 |
| 8g (CH) | 124.6 |
| 8da (CH3) | 56.2 |
| 8ea (CH3) | 56.2 |
| 11a (C) | 166.9 |
| 11b (C) | 127.6 |
| 11c (CH) | 141.2 |
| 11d (CH3) | 16 |
| 11ba (CH3) | 20.4 |
