(3'R,4'S,5'S,6'R)-8-[(4-ethylphenyl)methyl]-6'-(hydroxymethyl)spiro[3,4-dihydropyrano[3,4-b][1]benzofuran-1,2'-thiane]-3',4',5'-triol

Systemtic Name: (3'R,4'S,5'S,6'R)-8-[(4-ethylphenyl)methyl]-6'-(hydroxymethyl)spiro[3,4-dihydropyrano[3,4-b][1]benzofuran-1,2'-thiane]-3',4',5'-triol Openeye Name: (3'R,4'S,5'S,6'R)-8-[(4-ethylphenyl)methyl]-6'-(hydroxymethyl)spiro[3,4-dihydropyrano[3,4-b]benzofuran-1,2'-tetrahydrothiopyran]-3',4',5'-triol CAS Name: (3'R,4'S,5'S,6'R)-8-[(4-ethylphenyl)methyl]-6'-(hydroxymethyl)spiro[3,4-dihydropyrano[3,4-b]benzofuran-1,2'-thiane]-3',4',5'-triol IUPAC Name: (3'R,4'S,5'S,6'R)-8-[(4-ethylphenyl)methyl]-6'-(hydroxymethyl)spiro[3,4-dihydropyrano[3,4-b][1]benzofuran-1,2'-thiane]-3',4',5'-triol Traditional Name: (3'R,4'S,5'S,6'R)-8-(4-ethylbenzyl)-6'-methylol-spiro[3,4-dihydropyrano[3,4-b]benzofuran-1,2'-tetrahydrothiopyran]-3',4',5'-triol Formula: C25H28O6S MolecularWeight: 456.55122

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=C(C=C1)CC2=CC=CC3=C2OC4=C3CCOC45C(C(C(C(S5)CO)O)O)O

Isomeric SMILES

CCC1=CC=C(C=C1)CC2=CC=CC3=C2OC4=C3CCOC45[C@@H]([C@H]([C@@H]([C@H](S5)CO)O)O)O

InChI

InChI=1S/C25H28O6S/c1-2-14-6-8-15(9-7-14)12-16-4-3-5-17-18-10-11-30-25(24(18)31-22(16)17)23(29)21(28)20(27)19(13-26)32-25/h3-9,19-21,23,26-29H,2,10-13H2,1H3/t19-,20-,21+,23-,25?/m1/s1