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

Systemtic Name: (E)-4-[(1R,4S,6R)-4-[(2R,3R,4S,5S,6R)-6-(hydroxymethyl)-3,4,5-tris(oxidanyl)oxan-2-yl]oxy-2,2,6-trimethyl-cyclohexyl]but-3-en-2-one Openeye Name: (E)-4-[(1R,4S,6R)-2,2,6-trimethyl-4-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydropyran-2-yl]oxy-cyclohexyl]but-3-en-2-one CAS Name: (E)-4-[(1R,4S,6R)-2,2,6-trimethyl-4-[[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)-2-oxanyl]oxy]cyclohexyl]-3-buten-2-one IUPAC Name: (E)-4-[(1R,4S,6R)-2,2,6-trimethyl-4-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxycyclohexyl]but-3-en-2-one Traditional Name: (E)-4-[(1R,4S,6R)-2,2,6-trimethyl-4-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-methylol-tetrahydropyran-2-yl]oxy-cyclohexyl]but-3-en-2-one Formula: C19H32O7 MolecularWeight: 372.45318

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1CC(CC(C1C=CC(=O)C)(C)C)OC2C(C(C(C(O2)CO)O)O)O

Isomeric SMILES

C[C@@H]1C[C@@H](CC([C@H]1/C=C/C(=O)C)(C)C)O[C@H]2[C@@H]([C@H]([C@@H]([C@H](O2)CO)O)O)O

InChI

InChI=1S/C19H32O7/c1-10-7-12(8-19(3,4)13(10)6-5-11(2)21)25-18-17(24)16(23)15(22)14(9-20)26-18/h5-6,10,12-18,20,22-24H,7-9H2,1-4H3/b6-5+/t10-,12+,13+,14-,15-,16+,17-,18-/m1/s1