(4aR,6S,8aR,9aS)-6-[(2R,3R,4S,5S,6R)-6-(hydroxymethyl)-3,4,5-tris(oxidanyl)oxan-2-yl]oxy-3,8a-dimethyl-5-methylidene-9a-oxidanyl-4,4a,6,7,8,9-hexahydrobenzo[f][1]benzofuran-2-one

Systemtic Name: (4aR,6S,8aR,9aS)-6-[(2R,3R,4S,5S,6R)-6-(hydroxymethyl)-3,4,5-tris(oxidanyl)oxan-2-yl]oxy-3,8a-dimethyl-5-methylidene-9a-oxidanyl-4,4a,6,7,8,9-hexahydrobenzo[f][1]benzofuran-2-one Openeye Name: (4aR,6S,8aR,9aS)-9a-hydroxy-3,8a-dimethyl-5-methylene-6-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydropyran-2-yl]oxy-4,4a,6,7,8,9-hexahydrobenzo[f]benzofuran-2-one CAS Name: (4aR,6S,8aR,9aS)-9a-hydroxy-3,8a-dimethyl-5-methylene-6-[[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)-2-oxanyl]oxy]-4,4a,6,7,8,9-hexahydrobenzo[f]benzofuran-2-one IUPAC Name: (4aR,6S,8aR,9aS)-9a-hydroxy-3,8a-dimethyl-5-methylidene-6-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-4,4a,6,7,8,9-hexahydrobenzo[f][1]benzofuran-2-one Traditional Name: (4aR,6S,8aR,9aS)-9a-hydroxy-3,8a-dimethyl-5-methylene-6-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-methylol-tetrahydropyran-2-yl]oxy-4,4a,6,7,8,9-hexahydrobenzo[f]benzofuran-2-one Formula: C21H30O9 MolecularWeight: 426.4575

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C2CC3C(=C)C(CCC3(CC2(OC1=O)O)C)OC4C(C(C(C(O4)CO)O)O)O

Isomeric SMILES

CC1=C2C[C@H]3C(=C)[C@H](CC[C@@]3(C[C@@]2(OC1=O)O)C)O[C@H]4[C@@H]([C@H]([C@@H]([C@H](O4)CO)O)O)O

InChI

InChI=1S/C21H30O9/c1-9-11-6-12-10(2)18(26)30-21(12,27)8-20(11,3)5-4-13(9)28-19-17(25)16(24)15(23)14(7-22)29-19/h11,13-17,19,22-25,27H,1,4-8H2,2-3H3/t11-,13-,14+,15+,16-,17+,19+,20+,21-/m0/s1