Spektraris NMR
(±)-cis-3,4-Dihydroxy-5-methoxy-2,2-dimethyl-3,4-dihydro-2H,6H-benzo[a]pyrano[2,3-i]xanthen-6-one
![(±)-cis-3,4-Dihydroxy-5-methoxy-2,2-dimethyl-3,4-dihydro-2H,6H-benzo[a]pyrano[2,3-i]xanthen-6-one](/nmr/static/nmr/svg/14789.svg)
Common Name: (±)-cis-3,4-Dihydroxy-5-methoxy-2,2-dimethyl-3,4-dihydro-2H,6H-benzo[a]pyrano[2,3-i]xanthen-6-one
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C23H20O6/c1-23(2)22(26)20(25)18-15(29-23)10-14-17(21(18)27-3)19(24)16-12-7-5-4-6-11(12)8-9-13(16)28-14/h4-10,20,22,25-26H,1-3H3/t20-,22-/m0/s1
InChIKey: InChIKey=NXXHMZCAIYOVDX-UNMCSNQZSA-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) | 126.8 |
| 2 (CH) | 129.5 |
| 3 (CH) | 126.1 |
| 4 (CH) | 128.6 |
| 4a (C) | 130.4 |
| 5 (CH) | 136.3 |
| 6 (CH) | 117.6 |
| 6a (C) | 156.6 |
| 7a (C) | 158 |
| 8 (CH) | 101 |
| 9 (C) | 157.3 |
| 10 (C) | 111.7 |
| 11 (C) | 160.8 |
| 11a (C) | 114.2 |
| 12 (C) | 177.3 |
| 12a (C) | 115.2 |
| 12b (C) | 131.1 |
| 1' (CH) | 70.8 |
| 2' (CH) | 79 |
| 3' (C) | 62.6 |
| 4' (CH3) | 24.6 |
| 5' (CH3) | 23 |
| 1'' (CH3) | 62.8 |
