1-[2-[[(4aR,6S,7R,8R,8aS)-7,8-bis(oxidanyl)-2-phenyl-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxin-6-yl]oxy]-6-oxidanyl-phenyl]-3-(4-hydroxyphenyl)propan-1-one

Systemtic Name: 1-[2-[[(4aR,6S,7R,8R,8aS)-7,8-bis(oxidanyl)-2-phenyl-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxin-6-yl]oxy]-6-oxidanyl-phenyl]-3-(4-hydroxyphenyl)propan-1-one Openeye Name: 1-[2-[[(4aR,6S,7R,8R,8aS)-7,8-dihydroxy-2-phenyl-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxin-6-yl]oxy]-6-hydroxy-phenyl]-3-(4-hydroxyphenyl)propan-1-one CAS Name: 1-[2-[[(4aR,6S,7R,8R,8aS)-7,8-dihydroxy-2-phenyl-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxin-6-yl]oxy]-6-hydroxyphenyl]-3-(4-hydroxyphenyl)-1-propanone IUPAC Name: 1-[2-[[(4aR,6S,7R,8R,8aS)-7,8-dihydroxy-2-phenyl-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxin-6-yl]oxy]-6-hydroxyphenyl]-3-(4-hydroxyphenyl)propan-1-one Traditional Name: 1-[2-[[(4aR,6S,7R,8R,8aS)-7,8-dihydroxy-2-phenyl-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxin-6-yl]oxy]-6-hydroxy-phenyl]-3-(4-hydroxyphenyl)propan-1-one Formula: C28H28O9 MolecularWeight: 508.51652

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Descriptors Computed from Structure

Canonical SMILES:

C1C2C(C(C(C(O2)OC3=CC=CC(=C3C(=O)CCC4=CC=C(C=C4)O)O)O)O)OC(O1)C5=CC=CC=C5

Isomeric SMILES

C1[C@@H]2[C@H]([C@@H]([C@H]([C@@H](O2)OC3=CC=CC(=C3C(=O)CCC4=CC=C(C=C4)O)O)O)O)OC(O1)C5=CC=CC=C5

InChI

InChI=1S/C28H28O9/c29-18-12-9-16(10-13-18)11-14-20(31)23-19(30)7-4-8-21(23)35-28-25(33)24(32)26-22(36-28)15-34-27(37-26)17-5-2-1-3-6-17/h1-10,12-13,22,24-30,32-33H,11,14-15H2/t22-,24-,25-,26-,27?,28-/m1/s1