Spektraris NMR
(-)01-Demethyl-3',4'-deoxypsorospermin-3',4'-diol
Common Name: (-)01-Demethyl-3',4'-deoxypsorospermin-3',4'-diol
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C18H16O7/c1-18(23,7-19)13-5-9-12(24-13)6-11(21)14-15(22)8-3-2-4-10(20)16(8)25-17(9)14/h2-4,6,13,19-21,23H,5,7H2,1H3
InChIKey: InChIKey=DCMFBSAIEOOTHJ-UHFFFAOYSA-N
Formula: C18H16O7
Molecular Weight: 344.316133
Exact Mass: 344.089603
NMR Solvent: DMSO-d6
MHz:
Calibration:
NMR references: 13C - Abou Shoer, M., Boettner, F.E., Chang, C.J., Cassady, J.M. Phytochemistry (1988) 27, 2795-800
Species:
Notes: Family : Aromatics, Type : Xanthones; 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) | 163.4 |
| 2 (CH) | 92.8 |
| 3 (C) | 167.9 |
| 4 (C) | 104.4 |
| 4a (C) | 151.6 |
| 5 (C) | 146.2 |
| 6 (CH) | 120.7 |
| 7 (CH) | 124.2 |
| 8 (CH) | 114.7 |
| 8a (C) | 120.8 |
| 9 (C) | 180.2 |
| 9a (C) | 102.4 |
| 10a (C) | 144.6 |
| 1' (CH2) | 25.7 |
| 2' (CH) | 88.4 |
| 3' (C) | 72.6 |
| 4' (CH2) | 66.6 |
| 5' (CH3) | 20.8 |
