(3'R,4'S,5'S,6'R)-5-(1,3-benzodioxol-5-ylmethyl)-6'-(hydroxymethyl)spiro[1H-2-benzofuran-3,2'-oxane]-3',4',5'-triol

Systemtic Name: (3'R,4'S,5'S,6'R)-5-(1,3-benzodioxol-5-ylmethyl)-6'-(hydroxymethyl)spiro[1H-2-benzofuran-3,2'-oxane]-3',4',5'-triol Openeye Name: (3'R,4'S,5'S,6'R)-5-(1,3-benzodioxol-5-ylmethyl)-6'-(hydroxymethyl)spiro[1H-isobenzofuran-3,2'-tetrahydropyran]-3',4',5'-triol CAS Name: (3'R,4'S,5'S,6'R)-5-(1,3-benzodioxol-5-ylmethyl)-6'-(hydroxymethyl)spiro[1H-isobenzofuran-3,2'-oxane]-3',4',5'-triol IUPAC Name: (3'R,4'S,5'S,6'R)-5-(1,3-benzodioxol-5-ylmethyl)-6'-(hydroxymethyl)spiro[1H-2-benzofuran-3,2'-oxane]-3',4',5'-triol Traditional Name: (3'R,4'S,5'S,6'R)-6'-methylol-6-piperonyl-spiro[phthalan-1,2'-tetrahydropyran]-3',4',5'-triol Formula: C21H22O8 MolecularWeight: 402.39458

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Descriptors Computed from Structure

Canonical SMILES:

C1C2=C(C=C(C=C2)CC3=CC4=C(C=C3)OCO4)C5(O1)C(C(C(C(O5)CO)O)O)O

Isomeric SMILES

C1C2=C(C=C(C=C2)CC3=CC4=C(C=C3)OCO4)C5(O1)[C@@H]([C@H]([C@@H]([C@H](O5)CO)O)O)O

InChI

InChI=1S/C21H22O8/c22-8-17-18(23)19(24)20(25)21(29-17)14-6-11(1-3-13(14)9-28-21)5-12-2-4-15-16(7-12)27-10-26-15/h1-4,6-7,17-20,22-25H,5,8-10H2/t17-,18-,19+,20-,21?/m1/s1