(2''S)-2",3"-Dihydroisocryptomerin 7-methyl ether

(2''S)-2",3"-Dihydroisocryptomerin 7-methyl ether

Common Name: (2''S)-2",3"-Dihydroisocryptomerin 7-methyl ether

Synonyms: 4H-​1-​Benzopyran-​4-​one, 2,​3-​dihydro-​5-​hydroxy-​6-​[4-​(5-​hydroxy-​7-​methoxy-​4-​oxo-​4H-​1-​benzopyran-​2-​yl)​phenoxy]​-​2-​(4-​hydroxyphenyl)​-​7-​methoxy-​, (2S)​-

CAS Registry Number: 873999-90-7

InChI:

InChIKey:

Formula: C32H24O10

Molecular Weight: 568.53

Exact Mass: 568.13695

NMR Solvent: DMSO-d6

MHz: 500 (1H), 125 (13C)

Calibration: TMS

NMR references: Chen, J., Duh, C., Chen, J. (2005). New Cytotoxic Biflavonoids from Selaginella delicatula. Planta Med. 71, 659-665.

Species: Selaginella delicatula - Chen, J., Duh, C., Chen, J. (2005). New Cytotoxic Biflavonoids from Selaginella delicatula. Planta Med. 71, 659-665.

Notes:

Proton NMR Peaks

Position PPM Peak Type J (Hz)
3 6.94 s
6 6.35 d 2
8 6.82 d 2
2' 8.01 d 9
3' 7.09 d 9
5' 7.09 d 9
6' 8.01 d 9
2" 5.58 dd 13, 3
3" 2.76 dd 17, 3
3'' 3.25 dd 17, 13
8" 6.47 s
2''', 6''' 7.38 d 9
3''', 5''' 6.83 d 9
5-OH 12.93 s
5"-OH 12.06 s
4'''-OH 9.63 s
7-OCH3 3.84 s
7"-OCH3 3.8 s

Carbon NMR Peaks

Position PPM
2 163.1
3 (may be interchanged with 10) 103.8
4 181.9
5 161.1
6 98.2
7 165.2
8 92.7
9 157.3
10 (may be interchanged with 3) 103.7
1' 124.1
2' 128.4
3' (may be interchanged with 5', 3''', 5''') 115.1
4' 160.8
5' (may be interchanged with 3', 3''', 5''') 115.1
6' 128.4
2" 79
3" 41.9
4" 197.5
5" 160.1
6" 122.5
7" 160.1
8" 92.5
9" 153.9
10" 102.6
1''' 128.7
2''' 128.4
3''' (may be interchanged with 3', 5', 5''') 115.2
4''' 157.8
5''' (may be interchanged with 3', 5', 3''') 115.2
6''' 128.4
7-OCH3 56.1
7"-OCH3 56.7