Caraphenol A

(10R,11R,18S,19S)-3,11,19-tris(4-hydroxyphenyl)-4,12,20-trioxaheptacyclo[16.6.1.12,5.110,13.021,25.09,27.017,26]heptacosa-1(25),2,5,7,9(27),13,15,17(26),21,23-decaene-7,15,23-triol

Also Known As: Caraphenol A|(+/-)-caraphenol A|tris(4-hydroxyphenyl)[?]triol|HY-N3540|NP4796|TN5636|J3.350.759C|2(1H)-Pyrimidinone,3,4-dihydro-5-methyl-4-thioxo-|(10R,11R,18S,19S)-3,11,19-tris(4-hydroxyphenyl)-4,12,20-trioxaheptacyclo[16.6.1.12,5.110,13.021,25.09,27.017,26]heptacosa-1(25),2,5,7,9(27),13,15,17(26),21,23-decaene-7,15,23-triol|(2S,2aS,7R,7aR)-2,7,12-Tris(4-hydroxyphenyl)-2,2a,7,7a-tetrahydro bis[1]benzofuro[3',4':4,5,6,3'',4'':7,8,9]cyclonona[1,2,3-cd][1]b enzofuran-4,9,14-triol|(10R,11R,18S,19S)-3,11,19-tris(4-hydroxyphenyl)-4,12,20-trioxaheptacyclo[16.6.1.12,5.110,13.021,25.09,27.017,26]heptacosa-1(25),2,5,7,9(27),13(26),14,16,21,23-decaene-7,15,23-triol|(2s,2as,7r,7ar)-2,7,12-tris(4-hydroxyphenyl)-2,2a,7,7a-tetrahydro Bis[1]benzofuro[3',4':4,5,6;3'',4'':7,8,9]cyclonona[1,2,3-cd][1]b Enzofuran-4,9,14-triol|3,4-[[6-Hydroxy-2alpha-(4-hydroxyphenyl)-2,3-dihydrobenzofuran-4,3beta-diyl][6-hydroxy-2beta-(4-hydroxyphenyl)-2,3-dihydrobenzofuran-4,3alpha-diyl]]-6-hydroxy-2-(4-hydroxyphenyl)benzofuran

Molecular Formula	C42H28O9
Molecular Weight	676.17334 g/mol
LogP	7.5
Topological Polar Surface Area	153.0 Ų
Hydrogen Bond Donors	6
Hydrogen Bond Acceptors	9
Rotatable Bonds	3
Exact Mass	676.17334
Monoisotopic Mass	676.17334
Heavy Atoms	51
Complexity	1230.0

Chemical Identifiers

CAS Number	354553-35-8
SMILES	C1=CC(=CC=C1[C@@H]2[C@H]3C4=C5[C@H]([C@@H](OC5=CC(=C4)O)C6=CC=C(C=C6)O)C7=C8C(=CC(=C7)O)OC(=C8C9=C3C(=CC(=C9)O)O2)C1=CC=C(C=C1)O)O
InChIKey	ULEJGXIKBFHUOY-PIQPXYRBSA-N