[(1S,4aR,7S,7aS)-1-[(2S,3R,4R,5S,6R)-6-(hydroxymethyl)-3,4,5-tris(oxidanyl)oxan-2-yl]oxy-7-methyl-7-oxidanyl-4a,5,6,7a-tetrahydro-1H-cyclopenta[c]pyran-5-yl] 4-oxidanylbenzoate

Systemtic Name: [(1S,4aR,7S,7aS)-1-[(2S,3R,4R,5S,6R)-6-(hydroxymethyl)-3,4,5-tris(oxidanyl)oxan-2-yl]oxy-7-methyl-7-oxidanyl-4a,5,6,7a-tetrahydro-1H-cyclopenta[c]pyran-5-yl] 4-oxidanylbenzoate Openeye Name: [(1S,4aR,7S,7aS)-7-hydroxy-7-methyl-1-[(2S,3R,4R,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydropyran-2-yl]oxy-4a,5,6,7a-tetrahydro-1H-cyclopenta[c]pyran-5-yl] 4-hydroxybenzoate CAS Name: 4-hydroxybenzoic acid [(1S,4aR,7S,7aS)-7-hydroxy-7-methyl-1-[[(2S,3R,4R,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)-2-oxanyl]oxy]-4a,5,6,7a-tetrahydro-1H-cyclopenta[c]pyran-5-yl] ester IUPAC Name: [(1S,4aR,7S,7aS)-7-hydroxy-7-methyl-1-[(2S,3R,4R,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-4a,5,6,7a-tetrahydro-1H-cyclopenta[c]pyran-5-yl] 4-hydroxybenzoate Traditional Name: 4-hydroxybenzoic acid [(1S,4aR,7S,7aS)-7-hydroxy-7-methyl-1-[(2S,3R,4R,5S,6R)-3,4,5-trihydroxy-6-methylol-tetrahydropyran-2-yl]oxy-4a,5,6,7a-tetrahydro-1H-cyclopenta[c]pyran-5-yl] ester Formula: C22H28O11 MolecularWeight: 468.45112

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Descriptors Computed from Structure

Canonical SMILES:

CC1(CC(C2C1C(OC=C2)OC3C(C(C(C(O3)CO)O)O)O)OC(=O)C4=CC=C(C=C4)O)O

Isomeric SMILES

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

InChI

InChI=1S/C22H28O11/c1-22(29)8-13(31-19(28)10-2-4-11(24)5-3-10)12-6-7-30-20(15(12)22)33-21-18(27)17(26)16(25)14(9-23)32-21/h2-7,12-18,20-21,23-27,29H,8-9H2,1H3/t12-,13?,14+,15+,16+,17+,18+,20-,21-,22-/m0/s1