3-[[2-ethanoyl-3-[(2R,3S,4R,5R,6S)-6-(hydroxymethyl)-3,4,5-tris(oxidanyl)oxan-2-yl]oxy-5-oxidanyl-phenyl]methyl]-6,8-bis(oxidanyl)-3,4-dihydroisochromen-1-one

Systemtic Name: 3-[[2-ethanoyl-3-[(2R,3S,4R,5R,6S)-6-(hydroxymethyl)-3,4,5-tris(oxidanyl)oxan-2-yl]oxy-5-oxidanyl-phenyl]methyl]-6,8-bis(oxidanyl)-3,4-dihydroisochromen-1-one Openeye Name: 3-[[2-acetyl-5-hydroxy-3-[(2R,3S,4R,5R,6S)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydropyran-2-yl]oxy-phenyl]methyl]-6,8-dihydroxy-isochroman-1-one CAS Name: 3-[[2-acetyl-5-hydroxy-3-[[(2R,3S,4R,5R,6S)-3,4,5-trihydroxy-6-(hydroxymethyl)-2-oxanyl]oxy]phenyl]methyl]-6,8-dihydroxy-3,4-dihydro-1H-2-benzopyran-1-one IUPAC Name: 3-[[2-acetyl-5-hydroxy-3-[(2R,3S,4R,5R,6S)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyphenyl]methyl]-6,8-dihydroxy-3,4-dihydroisochromen-1-one Traditional Name: 3-[2-acetyl-5-hydroxy-3-[(2R,3S,4R,5R,6S)-3,4,5-trihydroxy-6-methylol-tetrahydropyran-2-yl]oxy-benzyl]-6,8-dihydroxy-isochroman-1-one Formula: C24H26O12 MolecularWeight: 506.45604

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C1=C(C=C(C=C1CC2CC3=CC(=CC(=C3C(=O)O2)O)O)O)OC4C(C(C(C(O4)CO)O)O)O

Isomeric SMILES

CC(=O)C1=C(C=C(C=C1CC2CC3=CC(=CC(=C3C(=O)O2)O)O)O)O[C@@H]4[C@H]([C@@H]([C@H]([C@@H](O4)CO)O)O)O

InChI

InChI=1S/C24H26O12/c1-9(26)18-10(4-14-5-11-3-12(27)6-15(29)19(11)23(33)34-14)2-13(28)7-16(18)35-24-22(32)21(31)20(30)17(8-25)36-24/h2-3,6-7,14,17,20-22,24-25,27-32H,4-5,8H2,1H3/t14?,17-,20-,21+,22-,24-/m0/s1