Spektraris NMR
Dihydroxyacid
Common Name: Dihydroxyacid
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C20H28O8/c1-6-9(2)20(26)19(5,17(24)25)14-12(28-20)8-18(4)13(21)7-11(27-18)10(3)15(22)16(14)23/h7,9,12,14-16,22-23,26H,3,6,8H2,1-2,4-5H3,(H,24,25)/t9?,12-,14+,15-,16-,18+,19+,20+/m0/s1
InChIKey: InChIKey=ITFCUIPADMFOMI-NBJGFJBZSA-N
Formula: C20H28O8
Molecular Weight: 396.432298
Exact Mass: 396.178418
NMR Solvent: CDCl3
MHz:
Calibration:
NMR references: 13C - Vichnewski, W., Skrochy, C.A., Maria, A., Nasi, T.T., Lopes, J.L.C., Herz, W. Phytochemistry (1999) 50, 317-20
Species:
Notes: Family : Terpenoids, Type : Sesquiterpenoids, Group : Germacranes; 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) | 205.5 |
| 2 (CH) | 106.2 |
| 3 (C) | 186.2 |
| 4 (C) | 140 |
| 5 (CH) | 73.7 |
| 6 (CH) | 85.6 |
| 7 (CH) | 64 |
| 8 (CH) | 75.3 |
| 9 (CH2) | 44.4 |
| 10 (C) | 90.9 |
| 11 (C) | 60.9 |
| 12 (C) | 176.6 |
| 13 (CH3) | 21 |
| 14 (CH3) | 21.3 |
| 15 (CH2) | 122.5 |
| 8a (C) | 108.7 |
| 8b (CH) | 39.8 |
| 8c (CH2) | 22.9 |
| 8d (CH3) | 12.3 |
| 8ba (CH3) | 13 |
