Spektraris NMR
04’-Ethyl-3’.4’-deoxypsorospermin-3’,4’-diol
Common Name: 04’-Ethyl-3’.4’-deoxypsorospermin-3’,4’-diol
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C21H22O7/c1-4-26-10-21(2,24)16-8-12-14(27-16)9-15(25-3)17-18(23)11-6-5-7-13(22)19(11)28-20(12)17/h5-7,9,16,22,24H,4,8,10H2,1-3H3
InChIKey: InChIKey=KIONXABPZFMMIX-UHFFFAOYSA-N
Formula: C21H22O7
Molecular Weight: 386.395985
Exact Mass: 386.136553
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) | 162.1 |
| 2 (CH) | 90.4 |
| 3 (C) | 165.8 |
| 4 (C) | 105.5 |
| 4a (C) | 153.4 |
| 5 (C) | 145.8 |
| 6 (CH) | 119.3 |
| 7 (CH) | 123.5 |
| 8 (CH) | 115.3 |
| 8a (C) | 123.6 |
| 9 (C) | 173.5 |
| 9a (C) | 105.3 |
| 10a (C) | 143.6 |
| 1' (CH2) | 26.2 |
| 2' (CH) | 88.2 |
| 3' (C) | 71.9 |
| 4' (CH2) | 66.2 |
| 5' (CH3) | 21.5 |
| 1a (CH3) | 56.3 |
| 4'a (CH2) | 74.7 |
| 4'b (CH3) | 15.1 |
