Spektraris NMR

SA5 heptaacetate: 2-(4-acetoxy-3-(5,7-diacetoxy-2-(3,4-diacetoxyphenyl)-4-oxo-4H-chromen-8-yl)phenyl)-4-oxo-4H-chromene-5,7-diyl diacetate

Common Name: SA5 heptaacetate: 2-(4-acetoxy-3-(5,7-diacetoxy-2-(3,4-diacetoxyphenyl)-4-oxo-4H-chromen-8-yl)phenyl)-4-oxo-4H-chromene-5,7-diyl diacetate

Synonyms: 4H-1-Benzopyran-4-one, 5,7-bis(acetyloxy)-8-[2-(acetyloxy)-5-[5,7-bis(acetyloxy)-4-oxo-4H-1-benzopyran-2-yl]phenyl]-2-[3,4-bis(acetyloxy)phenyl]-

CAS Registry Number: 92519-88-5

InChI:

InChIKey:

Formula: C44H32O18

Molecular Weight: 848.722

Exact Mass: 848.1589

NMR Solvent: CDCl3

MHz: 80.0

Calibration: TMS

NMR references: Murthy, S. (1985). Jeediflavanone-A Biflavonoid From Semecarpus anacardium. Phytochemistry 24, 1065-1069.

Species: synthesis - Murthy, S. (1985). Jeediflavanone-A Biflavonoid From Semecarpus anacardium. Phytochemistry 24, 1065-1069.

Notes:

Proton NMR Peaks

Position	PPM	Peak Type	J (Hz)
6	6.14	d	2
8	6.22	d	2
3, 3"	6.49	s	4.16
6" or 8"	6.54	s
2''', 5''', 6''' range	6.91	m
2''', 5''', 6''' range	7.16
2', 5', 6' range	7.31	m
2', 5', 6' range	7.5
5, 7, 4', 5", 7", 3''', 4''' (acetoxyl groups)	2.22	s
5, 7, 4', 5", 7", 3''', 4''' (acetoxyl groups)	2.24	s
5, 7, 4', 5", 7", 3''', 4''' (acetoxyl groups)	2.28	s
5, 7, 4', 5", 7", 3''', 4''' (acetoxyl groups)	2.32	s

The Spektraris NMR database is developed and hosted by the Lange laboratory at WSU. CAS Registry Number is a Registered Trademark of the American Chemical Society.