(2S,3S,4S)-4-(1,3-benzodioxol-5-ylmethyl)-3-[(3,4,5-trimethoxyphenyl)methyl]pentane-1,2,5-triol

Systemtic Name: (2S,3S,4S)-4-(1,3-benzodioxol-5-ylmethyl)-3-[(3,4,5-trimethoxyphenyl)methyl]pentane-1,2,5-triol Openeye Name: (2S,3S,4S)-4-(1,3-benzodioxol-5-ylmethyl)-3-[(3,4,5-trimethoxyphenyl)methyl]pentane-1,2,5-triol CAS Name: (2S,3S,4S)-4-(1,3-benzodioxol-5-ylmethyl)-3-[(3,4,5-trimethoxyphenyl)methyl]pentane-1,2,5-triol IUPAC Name: (2S,3S,4S)-4-(1,3-benzodioxol-5-ylmethyl)-3-[(3,4,5-trimethoxyphenyl)methyl]pentane-1,2,5-triol Traditional Name: (2S,3S,4S)-4-piperonyl-3-(3,4,5-trimethoxybenzyl)pentane-1,2,5-triol Formula: C23H30O8 MolecularWeight: 434.4795

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=CC(=C1OC)OC)CC(C(CC2=CC3=C(C=C2)OCO3)CO)C(CO)O

Isomeric SMILES

COC1=CC(=CC(=C1OC)OC)C[C@@H]([C@H](CC2=CC3=C(C=C2)OCO3)CO)[C@@H](CO)O

InChI

InChI=1S/C23H30O8/c1-27-21-9-15(10-22(28-2)23(21)29-3)7-17(18(26)12-25)16(11-24)6-14-4-5-19-20(8-14)31-13-30-19/h4-5,8-10,16-18,24-26H,6-7,11-13H2,1-3H3/t16-,17+,18-/m1/s1