(3S,4R)-4-[1,3-benzodioxol-5-yl-[(S)-phenylsulfinyl]methyl]-3-[oxidanyl-(3,4,5-trimethoxyphenyl)methyl]oxolan-2-one

Systemtic Name: (3S,4R)-4-[1,3-benzodioxol-5-yl-[(S)-phenylsulfinyl]methyl]-3-[oxidanyl-(3,4,5-trimethoxyphenyl)methyl]oxolan-2-one Openeye Name: (3S,4R)-4-[1,3-benzodioxol-5-yl-[(S)-phenylsulfinyl]methyl]-3-[hydroxy-(3,4,5-trimethoxyphenyl)methyl]tetrahydrofuran-2-one CAS Name: (3S,4R)-4-[1,3-benzodioxol-5-yl-[(S)-phenylsulfinyl]methyl]-3-[hydroxy-(3,4,5-trimethoxyphenyl)methyl]-2-oxolanone IUPAC Name: (3S,4R)-4-[1,3-benzodioxol-5-yl-[(S)-phenylsulfinyl]methyl]-3-[hydroxy-(3,4,5-trimethoxyphenyl)methyl]oxolan-2-one Traditional Name: (3S,4R)-4-[1,3-benzodioxol-5-yl-[(S)-phenylsulfinyl]methyl]-3-[hydroxy-(3,4,5-trimethoxyphenyl)methyl]tetrahydrofuran-2-one Formula: C28H28O9S MolecularWeight: 540.58152

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=CC(=C1OC)OC)C(C2C(COC2=O)C(C3=CC4=C(C=C3)OCO4)S(=O)C5=CC=CC=C5)O

Isomeric SMILES

COC1=CC(=CC(=C1OC)OC)C([C@@H]2[C@H](COC2=O)C(C3=CC4=C(C=C3)OCO4)[S@](=O)C5=CC=CC=C5)O

InChI

InChI=1S/C28H28O9S/c1-32-22-12-17(13-23(33-2)26(22)34-3)25(29)24-19(14-35-28(24)30)27(38(31)18-7-5-4-6-8-18)16-9-10-20-21(11-16)37-15-36-20/h4-13,19,24-25,27,29H,14-15H2,1-3H3/t19-,24-,25?,27?,38+/m0/s1