Spektraris NMR
SCHEMBL2053663
Common Name: SCHEMBL2053663
Synonyms: SCHEMBL2053663
CAS Registry Number:
InChI: InChI=1S/C24H26O5/c1-12(2)6-8-15-9-11-17-18(21(15)26)23(28)19-22(27)16(10-7-13(3)4)20(25)14(5)24(19)29-17/h6-7,9,11,25-27H,8,10H2,1-5H3
InChIKey: InChIKey=QPSZSDVSMAQDTD-UHFFFAOYSA-N
Formula: C24H26O5
Molecular Weight: 394.461146
Exact Mass: 394.178024
NMR Solvent: CDCl3
MHz:
Calibration:
NMR references: 13C - Gopalakrishnan, G., Balaganesan, B. Fitoterapia (2000) 71, 607-9
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) | 161.6 |
| 2 (C) | 105.8 |
| 3 (C) | 153.7 |
| 4 (C) | 102.1 |
| 4a (C) | 142.8 |
| 5 (CH) | 109.7 |
| 6 (CH) | 122.8 |
| 7 (C) | 133.9 |
| 8 (C) | 158 |
| 8a (C) | 109.5 |
| 9 (C) | 184.6 |
| 9a (C) | 107.1 |
| 10a (C) | 152.4 |
| 1' (CH2) | 21.5 |
| 2' (CH) | 120.9 |
| 3' (C) | 135.6 |
| 4' (CH3) | 17.9 |
| 5' (CH3) | 25.6 |
| 1'' (CH3) | 28.2 |
| 1''' (CH2) | 21.9 |
| 2''' (CH) | 121.7 |
| 3''' (C) | 136.2 |
| 4''' (CH3) | 17.9 |
| 5''' (CH3) | 25.8 |
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The Spektraris NMR database is developed and hosted by the Lange laboratory at WSU. CAS Registry Number is a Registered Trademark of the American Chemical Society.