(3aS,5R,9aR,9bS)-9-[[(2R,3R,4S,5S,6R)-6-(hydroxymethyl)-3,4,5-tris(oxidanyl)oxan-2-yl]oxymethyl]-6-methyl-3-methylidene-5-oxidanyl-3a,4,5,7,9a,9b-hexahydroazuleno[4,5-b]furan-2-one

Systemtic Name: (3aS,5R,9aR,9bS)-9-[[(2R,3R,4S,5S,6R)-6-(hydroxymethyl)-3,4,5-tris(oxidanyl)oxan-2-yl]oxymethyl]-6-methyl-3-methylidene-5-oxidanyl-3a,4,5,7,9a,9b-hexahydroazuleno[4,5-b]furan-2-one Openeye Name: (3aS,5R,9aR,9bS)-5-hydroxy-6-methyl-3-methylene-9-[[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydropyran-2-yl]oxymethyl]-3a,4,5,7,9a,9b-hexahydroazuleno[4,5-b]furan-2-one CAS Name: (3aS,5R,9aR,9bS)-5-hydroxy-6-methyl-3-methylene-9-[[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)-2-oxanyl]oxymethyl]-3a,4,5,7,9a,9b-hexahydroazuleno[4,5-b]furan-2-one IUPAC Name: (3aS,5R,9aR,9bS)-5-hydroxy-6-methyl-3-methylidene-9-[[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]-3a,4,5,7,9a,9b-hexahydroazuleno[4,5-b]furan-2-one Traditional Name: (3aS,5R,9aR,9bS)-5-hydroxy-6-methyl-3-methylene-9-[[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-methylol-tetrahydropyran-2-yl]oxymethyl]-3a,4,5,7,9a,9b-hexahydroazuleno[4,5-b]furan-2-one Formula: C21H28O9 MolecularWeight: 424.44162

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C2CC=C(C2C3C(CC1O)C(=C)C(=O)O3)COC4C(C(C(C(O4)CO)O)O)O

Isomeric SMILES

CC1=C2CC=C([C@@H]2[C@@H]3[C@@H](C[C@H]1O)C(=C)C(=O)O3)CO[C@H]4[C@@H]([C@H]([C@@H]([C@H](O4)CO)O)O)O

InChI

InChI=1S/C21H28O9/c1-8-11-4-3-10(7-28-21-18(26)17(25)16(24)14(6-22)29-21)15(11)19-12(5-13(8)23)9(2)20(27)30-19/h3,12-19,21-26H,2,4-7H2,1H3/t12-,13+,14+,15-,16+,17-,18+,19-,21+/m0/s1