Cochlioquinone A

[2-[12-hydroxy-3-(2-hydroxypropan-2-yl)-6a,12b-dimethyl-8,11-dioxo-1,2,3,4a,5,6,12,12a-octahydropyrano[3,2-a]xanthen-9-yl]-4-methylhexan-3-yl] acetate

Also Known As: Cochlioquinone A|Cochliochinon A|Epicochlioquinone A|(8-alpha)-Cochlioquinone A|Cochlioquinone A, (8-alpha)-|[(2S,3R,4S)-2-[(3R,4aR,6aR,12S,12bR)-12-hydroxy-3-(2-hydroxypropan-2-yl)-6a,12b-dimethyl-8,11-dioxo-1,2,3,4a,5,6,12,12a-octahydropyrano[3,2-a]xanthen-9-yl]-4-methylhexan-3-yl] acetate|[2-[12-hydroxy-3-(2-hydroxypropan-2-yl)-6a,12b-dimethyl-8,11-dioxo-1,2,3,4a,5,6,12,12a-octahydropyrano[3,2-a]xanthen-9-yl]-4-methylhexan-3-yl] acetate|[1-[1-[12-hydroxy-3-(1-hydroxy-1-methyl-ethyl)-6a,12b-dimethyl-8,11-dioxo-1,2,3,4a,5,6,12,12a-octahydropyrano[3,2-a]xanthen-9-yl]ethyl]-2-methyl-butyl] acetate|1-(1-[12-Hydroxy-3-(1-hydroxy-1-methylethyl)-6a,12b-dimethyl-8,11-dioxo-1,2,3,4a,5,6,6a,8,11,12,12a,12b-dodecahydropyrano[3,2-a]xanthen-9-yl]ethyl)-2-methylbutyl acetate #

Molecular Formula	C30H44O8
Molecular Weight	532.3036 g/mol
LogP	3.4
Topological Polar Surface Area	119.0 Ų
Hydrogen Bond Donors	2
Hydrogen Bond Acceptors	8
Rotatable Bonds	7
Exact Mass	532.3036
Monoisotopic Mass	532.3036
Heavy Atoms	38
Complexity	1070.0

Chemical Identifiers

CAS Number	147384-57-4
SMILES	CCC(C)C(C(C)C1=CC(=O)C2=C(C1=O)OC3(CCC4C(C3C2O)(CCC(O4)C(C)(C)O)C)C)OC(=O)C
InChIKey	UWSYUCZPPVXEKW-UHFFFAOYSA-N