[(2S,3R,4S,5R,6R)-2-[[(3S,4R,4aS)-4-ethenyl-8-oxidanylidene-4,4a,5,6-tetrahydro-3H-pyrano[3,4-c]pyran-3-yl]oxy]-6-(hydroxymethyl)-3,5-bis(oxidanyl)oxan-4-yl] 3-oxidanylbenzoate

Systemtic Name: [(2S,3R,4S,5R,6R)-2-[[(3S,4R,4aS)-4-ethenyl-8-oxidanylidene-4,4a,5,6-tetrahydro-3H-pyrano[3,4-c]pyran-3-yl]oxy]-6-(hydroxymethyl)-3,5-bis(oxidanyl)oxan-4-yl] 3-oxidanylbenzoate Openeye Name: [(2S,3R,4S,5R,6R)-2-[[(3S,4R,4aS)-8-oxo-4-vinyl-4,4a,5,6-tetrahydro-3H-pyrano[3,4-c]pyran-3-yl]oxy]-3,5-dihydroxy-6-(hydroxymethyl)tetrahydropyran-4-yl] 3-hydroxybenzoate CAS Name: 3-hydroxybenzoic acid [(2S,3R,4S,5R,6R)-2-[[(3S,4R,4aS)-4-ethenyl-8-oxo-4,4a,5,6-tetrahydro-3H-pyrano[3,4-c]pyran-3-yl]oxy]-3,5-dihydroxy-6-(hydroxymethyl)-4-oxanyl] ester IUPAC Name: [(2S,3R,4S,5R,6R)-2-[[(3S,4R,4aS)-4-ethenyl-8-oxo-4,4a,5,6-tetrahydro-3H-pyrano[3,4-c]pyran-3-yl]oxy]-3,5-dihydroxy-6-(hydroxymethyl)oxan-4-yl] 3-hydroxybenzoate Traditional Name: 3-hydroxybenzoic acid [(2S,3R,4S,5R,6R)-2-[[(3S,4R,4aS)-8-keto-4-vinyl-4,4a,5,6-tetrahydro-3H-pyrano[3,4-c]pyran-3-yl]oxy]-3,5-dihydroxy-6-methylol-tetrahydropyran-4-yl] ester Formula: C23H26O11 MolecularWeight: 478.44594

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Descriptors Computed from Structure

Canonical SMILES:

C=CC1C2CCOC(=O)C2=COC1OC3C(C(C(C(O3)CO)O)OC(=O)C4=CC(=CC=C4)O)O

Isomeric SMILES

C=C[C@@H]1[C@@H]2CCOC(=O)C2=CO[C@H]1O[C@H]3[C@@H]([C@H]([C@@H]([C@H](O3)CO)O)OC(=O)C4=CC(=CC=C4)O)O

InChI

InChI=1S/C23H26O11/c1-2-13-14-6-7-30-21(29)15(14)10-31-22(13)34-23-18(27)19(17(26)16(9-24)32-23)33-20(28)11-4-3-5-12(25)8-11/h2-5,8,10,13-14,16-19,22-27H,1,6-7,9H2/t13-,14+,16-,17-,18-,19+,22+,23+/m1/s1