Spektraris NMR
(±)-cis-1,2-Dihydroxy-6-methoxy-3,3-dimethyl-1,2-dihydro-3H,7H-benzo[a]pyrano[3,2-h]xanthen-7-one
![(±)-cis-1,2-Dihydroxy-6-methoxy-3,3-dimethyl-1,2-dihydro-3H,7H-benzo[a]pyrano[3,2-h]xanthen-7-one](/nmr/static/nmr/svg/14788.svg)
Common Name: (±)-cis-1,2-Dihydroxy-6-methoxy-3,3-dimethyl-1,2-dihydro-3H,7H-benzo[a]pyrano[3,2-h]xanthen-7-one
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C23H20O6/c1-23(2)22(26)20(25)18-15(29-23)10-14(27-3)17-19(24)16-12-7-5-4-6-11(12)8-9-13(16)28-21(17)18/h4-10,20,22,25-26H,1-3H3/t20-,22-/m1/s1
InChIKey: InChIKey=REMQOKNSWDIRFY-IFMALSPDSA-N
Formula: C23H20O6
Molecular Weight: 392.40217
Exact Mass: 392.125988
NMR Solvent: CD3COCD3
MHz:
Calibration:
NMR references: 13C - Sittisombut, C., Boutefnouchet, S., Trinh Van-Dufat, H., Tian, W., Michel, S., Koch, M., Tillequin, F., Pfeiffer, B., Pierre, A. Chem Pharm Bull (2006) 54, 1113-8
Species:
Notes: Family : Aromatics, Type : Xanthones, Group : Benzoxanthones; 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 (CH) | 127 |
| 2 (CH) | 129.9 |
| 3 (CH) | 126.8 |
| 4 (CH) | 129.7 |
| 4a (C) | 131.1 |
| 5 (CH) | 136.6 |
| 6 (CH) | 119.1 |
| 6a (C) | 157.1 |
| 7a (C) | 156.5 |
| 8 (C) | 105.3 |
| 9 (C) | 158.4 |
| 10 (CH) | 97.1 |
| 11 (C) | 161.6 |
| 11a (C) | 108.9 |
| 12 (C) | 177 |
| 12a (C) | 115.6 |
| 12b (C) | 131.3 |
| 1' (CH) | 65.1 |
| 2' (CH) | 75.2 |
| 3' (C) | 80.4 |
| 4' (CH3) | 27.9 |
| 5' (CH3) | 22 |
| 1'' (CH3) | 57.1 |
