2-[4-[(2S,3R,4S,5S,6R)-6-(hydroxymethyl)-3,4,5-tris(oxidanyl)oxan-2-yl]oxy-2-oxidanyl-phenyl]-8,8-dimethyl-3-(3-methylbut-2-enyl)-5-oxidanyl-pyrano[2,3-h]chromen-4-one

Systemtic Name: 2-[4-[(2S,3R,4S,5S,6R)-6-(hydroxymethyl)-3,4,5-tris(oxidanyl)oxan-2-yl]oxy-2-oxidanyl-phenyl]-8,8-dimethyl-3-(3-methylbut-2-enyl)-5-oxidanyl-pyrano[2,3-h]chromen-4-one Openeye Name: 5-hydroxy-2-[2-hydroxy-4-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydropyran-2-yl]oxy-phenyl]-8,8-dimethyl-3-(3-methylbut-2-enyl)pyrano[2,3-h]chromen-4-one CAS Name: 5-hydroxy-2-[2-hydroxy-4-[[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)-2-oxanyl]oxy]phenyl]-8,8-dimethyl-3-(3-methylbut-2-enyl)-4-pyrano[2,3-h][1]benzopyranone IUPAC Name: 5-hydroxy-2-[2-hydroxy-4-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyphenyl]-8,8-dimethyl-3-(3-methylbut-2-enyl)pyrano[2,3-h]chromen-4-one Traditional Name: 5-hydroxy-2-[2-hydroxy-4-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-methylol-tetrahydropyran-2-yl]oxy-phenyl]-8,8-dimethyl-3-(3-methylbut-2-enyl)pyrano[2,3-h]chromen-4-one Formula: C31H34O11 MolecularWeight: 582.59506

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Descriptors Computed from Structure

Canonical SMILES:

CC(=CCC1=C(OC2=C3C=CC(OC3=CC(=C2C1=O)O)(C)C)C4=C(C=C(C=C4)OC5C(C(C(C(O5)CO)O)O)O)O)C

Isomeric SMILES

CC(=CCC1=C(OC2=C3C=CC(OC3=CC(=C2C1=O)O)(C)C)C4=C(C=C(C=C4)O[C@H]5[C@@H]([C@H]([C@@H]([C@H](O5)CO)O)O)O)O)C

InChI

InChI=1S/C31H34O11/c1-14(2)5-7-18-24(35)23-20(34)12-21-17(9-10-31(3,4)42-21)29(23)41-28(18)16-8-6-15(11-19(16)33)39-30-27(38)26(37)25(36)22(13-32)40-30/h5-6,8-12,22,25-27,30,32-34,36-38H,7,13H2,1-4H3/t22-,25-,26+,27-,30-/m1/s1