(E)-4-[(1S,2S,3S,6R)-2-[(2S,3R,4S,5S,6R)-6-(hydroxymethyl)-3,4,5-tris(oxidanyl)oxan-2-yl]oxy-1,5,5-trimethyl-3-oxidanyl-7-oxabicyclo[4.1.0]heptan-6-yl]but-3-en-2-one

Systemtic Name: (E)-4-[(1S,2S,3S,6R)-2-[(2S,3R,4S,5S,6R)-6-(hydroxymethyl)-3,4,5-tris(oxidanyl)oxan-2-yl]oxy-1,5,5-trimethyl-3-oxidanyl-7-oxabicyclo[4.1.0]heptan-6-yl]but-3-en-2-one Openeye Name: (E)-4-[(1S,2S,3S,6R)-3-hydroxy-1,5,5-trimethyl-2-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydropyran-2-yl]oxy-7-oxabicyclo[4.1.0]heptan-6-yl]but-3-en-2-one CAS Name: (E)-4-[(1S,2S,3S,6R)-3-hydroxy-1,5,5-trimethyl-2-[[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)-2-oxanyl]oxy]-7-oxabicyclo[4.1.0]heptan-6-yl]-3-buten-2-one IUPAC Name: (E)-4-[(1S,2S,3S,6R)-3-hydroxy-1,5,5-trimethyl-2-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-7-oxabicyclo[4.1.0]heptan-6-yl]but-3-en-2-one Traditional Name: (E)-4-[(1S,2S,3S,6R)-3-hydroxy-1,5,5-trimethyl-2-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-methylol-tetrahydropyran-2-yl]oxy-7-oxabicyclo[4.1.0]heptan-6-yl]but-3-en-2-one Formula: C19H30O9 MolecularWeight: 402.4361

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C=CC12C(CC(C(C1(O2)C)OC3C(C(C(C(O3)CO)O)O)O)O)(C)C

Isomeric SMILES

CC(=O)/C=C/[C@@]12[C@@](O1)([C@H]([C@H](CC2(C)C)O)O[C@H]3[C@@H]([C@H]([C@@H]([C@H](O3)CO)O)O)O)C

InChI

InChI=1S/C19H30O9/c1-9(21)5-6-19-17(2,3)7-10(22)15(18(19,4)28-19)27-16-14(25)13(24)12(23)11(8-20)26-16/h5-6,10-16,20,22-25H,7-8H2,1-4H3/b6-5+/t10-,11+,12+,13-,14+,15-,16-,18-,19+/m0/s1