1-[(5S,6S,7S)-7-(hydroxymethyl)-9-[(2S,3R,4R,5S)-5-(hydroxymethyl)-3,4-bis(oxidanyl)oxolan-2-yl]oxy-5-(3,4,5-trimethoxyphenyl)-5,6,7,8-tetrahydrobenzo[f][1,3]benzodioxol-6-yl]ethanone

Systemtic Name: 1-[(5S,6S,7S)-7-(hydroxymethyl)-9-[(2S,3R,4R,5S)-5-(hydroxymethyl)-3,4-bis(oxidanyl)oxolan-2-yl]oxy-5-(3,4,5-trimethoxyphenyl)-5,6,7,8-tetrahydrobenzo[f][1,3]benzodioxol-6-yl]ethanone Openeye Name: 1-[(5S,6S,7S)-9-[(2S,3R,4R,5S)-3,4-dihydroxy-5-(hydroxymethyl)tetrahydrofuran-2-yl]oxy-7-(hydroxymethyl)-5-(3,4,5-trimethoxyphenyl)-5,6,7,8-tetrahydrobenzo[f][1,3]benzodioxol-6-yl]ethanone CAS Name: 1-[(5S,6S,7S)-9-[[(2S,3R,4R,5S)-3,4-dihydroxy-5-(hydroxymethyl)-2-oxolanyl]oxy]-7-(hydroxymethyl)-5-(3,4,5-trimethoxyphenyl)-5,6,7,8-tetrahydrobenzo[f][1,3]benzodioxol-6-yl]ethanone IUPAC Name: 1-[(5S,6S,7S)-9-[(2S,3R,4R,5S)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]oxy-7-(hydroxymethyl)-5-(3,4,5-trimethoxyphenyl)-5,6,7,8-tetrahydrobenzo[f][1,3]benzodioxol-6-yl]ethanone Traditional Name: 1-[(5S,6S,7S)-9-[(2S,3R,4R,5S)-3,4-dihydroxy-5-methylol-tetrahydrofuran-2-yl]oxy-7-methylol-5-(3,4,5-trimethoxyphenyl)-5,6,7,8-tetrahydrobenzo[f][1,3]benzodioxol-6-yl]ethanone Formula: C28H34O12 MolecularWeight: 562.56236

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C1C(CC2=C(C3=C(C=C2C1C4=CC(=C(C(=C4)OC)OC)OC)OCO3)OC5C(C(C(O5)CO)O)O)CO

Isomeric SMILES

CC(=O)[C@@H]1[C@H](CC2=C(C3=C(C=C2[C@@H]1C4=CC(=C(C(=C4)OC)OC)OC)OCO3)O[C@H]5[C@@H]([C@H]([C@@H](O5)CO)O)O)CO

InChI

InChI=1S/C28H34O12/c1-12(31)21-14(9-29)5-16-15(22(21)13-6-17(34-2)26(36-4)18(7-13)35-3)8-19-27(38-11-37-19)25(16)40-28-24(33)23(32)20(10-30)39-28/h6-8,14,20-24,28-30,32-33H,5,9-11H2,1-4H3/t14-,20+,21-,22+,23+,24-,28+/m1/s1