(±)-cis-3,4-Di-O-carbonyloxy-5-methoxy-2,2-dimethyl-3,4-dihydro-2H,6H-benzo[a]pyrano[2,3-i]xanthen-6-one

(±)-cis-3,4-Di-O-carbonyloxy-5-methoxy-2,2-dimethyl-3,4-dihydro-2H,6H-benzo[a]pyrano[2,3-i]xanthen-6-one

Common Name: (±)-cis-3,4-Di-O-carbonyloxy-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/C24H18O7/c1-24(2)22-21(29-23(26)30-22)18-15(31-24)10-14-17(20(18)27-3)19(25)16-12-7-5-4-6-11(12)8-9-13(16)28-14/h4-10,21-22H,1-3H3/t21-,22-/m0/s1

InChIKey: InChIKey=SUGCWBHUNPJQBO-VXKWHMMOSA-N

Formula: C24H18O7

Molecular Weight: 418.39643

Exact Mass: 418.105253

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) 126.8
2 (CH) 129.7
3 (CH) 126.3
4 (CH) 128.6
4a (C) 130.5
5 (CH) 136.6
6 (CH) 117.4
6a (C) 156.5
7a (C) 158.6
8 (CH) 101.8
9 (C) 157.6
10 (C) 109.2
11 (C) 162.5
11a (C) 113
12 (C) 177
12a (C) 115.4
12b (C) 131
1' (CH) 68.6
2' (CH) 78.2
3' (C) 76.3
4' (CH3) 24.3
5' (CH3) 22.5
1'' (CH3) 64.2
1'a (C) 154