Spektraris NMR
(±)-cis-1,2-Diacetoxy-6-methoxy-3,3-dimethyl-1,2-dihydro-3H,7H-benzo[a]pyrano[3,2-h]xanthen-7-one
![(±)-cis-1,2-Diacetoxy-6-methoxy-3,3-dimethyl-1,2-dihydro-3H,7H-benzo[a]pyrano[3,2-h]xanthen-7-one](/nmr/static/nmr/svg/14790.svg)
Common Name: (±)-cis-1,2-Diacetoxy-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/C27H24O8/c1-13(28)32-25-22-19(35-27(3,4)26(25)33-14(2)29)12-18(31-5)21-23(30)20-16-9-7-6-8-15(16)10-11-17(20)34-24(21)22/h6-12,25-26H,1-5H3/t25-,26-/m1/s1
InChIKey: InChIKey=OKLMEPBDHOQHDH-CLJLJLNGSA-N
Formula: C27H24O8
Molecular Weight: 476.475687
Exact Mass: 476.147118
NMR Solvent: CDCl3
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) | 127.3 |
| 2 (CH) | 129.4 |
| 3 (CH) | 126.1 |
| 4 (CH) | 128.4 |
| 4a (C) | 130.6 |
| 5 (CH) | 136.1 |
| 6 (CH) | 117.2 |
| 6a (C) | 156.2 |
| 7a (C) | 155.8 |
| 8 (C) | 98.9 |
| 9 (C) | 158.3 |
| 10 (CH) | 96.2 |
| 11 (C) | 162.5 |
| 11a (C) | 109.2 |
| 12 (C) | 177.5 |
| 12a (C) | 115.7 |
| 12b (C) | 131.1 |
| 1' (CH) | 60.9 |
| 2' (CH) | 71.3 |
| 3' (C) | 78.2 |
| 4' (CH3) | 26.1 |
| 5' (CH3) | 21.9 |
| 1'' (CH3) | 56.6 |
| 1'a (C) | 170.4 |
| 1'b (CH3) | 21 |
| 2'a (C) | 170 |
| 2'b (CH3) | 20.8 |
