[(2R,3S,4S,4aR,10bS)-9-methoxy-3,4,8,10-tetrakis(oxidanyl)-6-oxidanylidene-3,4,4a,10b-tetrahydro-2H-pyrano[3,2-c]isochromen-2-yl]methyl butanoate

Systemtic Name: [(2R,3S,4S,4aR,10bS)-9-methoxy-3,4,8,10-tetrakis(oxidanyl)-6-oxidanylidene-3,4,4a,10b-tetrahydro-2H-pyrano[3,2-c]isochromen-2-yl]methyl butanoate Openeye Name: [(2R,3S,4S,4aR,10bS)-3,4,8,10-tetrahydroxy-9-methoxy-6-oxo-3,4,4a,10b-tetrahydro-2H-pyrano[3,2-c]isochromen-2-yl]methyl butanoate CAS Name: butanoic acid [(2R,3S,4S,4aR,10bS)-3,4,8,10-tetrahydroxy-9-methoxy-6-oxo-3,4,4a,10b-tetrahydro-2H-pyrano[3,2-c][2]benzopyran-2-yl]methyl ester IUPAC Name: [(2R,3S,4S,4aR,10bS)-3,4,8,10-tetrahydroxy-9-methoxy-6-oxo-3,4,4a,10b-tetrahydro-2H-pyrano[3,2-c]isochromen-2-yl]methyl butanoate Traditional Name: butyric acid [(2R,3S,4S,4aR,10bS)-3,4,8,10-tetrahydroxy-6-keto-9-methoxy-3,4,4a,10b-tetrahydro-2H-pyran[3,2-c]isochromen-2-yl]methyl ester Formula: C18H22O10 MolecularWeight: 398.36128

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Descriptors Computed from Structure

Canonical SMILES:

CCCC(=O)OCC1C(C(C2C(O1)C3=C(C(=C(C=C3C(=O)O2)O)OC)O)O)O

Isomeric SMILES

CCCC(=O)OC[C@@H]1[C@H]([C@@H]([C@@H]2[C@@H](O1)C3=C(C(=C(C=C3C(=O)O2)O)OC)O)O)O

InChI

InChI=1S/C18H22O10/c1-3-4-10(20)26-6-9-12(21)14(23)17-16(27-9)11-7(18(24)28-17)5-8(19)15(25-2)13(11)22/h5,9,12,14,16-17,19,21-23H,3-4,6H2,1-2H3/t9-,12-,14+,16+,17-/m1/s1