4-[(2S,3R,4R,6S,7R)-4-methyl-3,6-bis(oxidanyl)-7-(2-oxidanylidenepropyl)oxepan-2-yl]butan-2-one

Systemtic Name: 4-[(2S,3R,4R,6S,7R)-4-methyl-3,6-bis(oxidanyl)-7-(2-oxidanylidenepropyl)oxepan-2-yl]butan-2-one Openeye Name: 4-[(2S,3R,4R,6S,7R)-7-acetonyl-3,6-dihydroxy-4-methyl-oxepan-2-yl]butan-2-one CAS Name: 4-[(2S,3R,4R,6S,7R)-3,6-dihydroxy-4-methyl-7-(2-oxopropyl)-2-oxepanyl]-2-butanone IUPAC Name: 4-[(2S,3R,4R,6S,7R)-3,6-dihydroxy-4-methyl-7-(2-oxopropyl)oxepan-2-yl]butan-2-one Traditional Name: 4-[(2S,3R,4R,6S,7R)-7-acetonyl-3,6-dihydroxy-4-methyl-oxepan-2-yl]butan-2-one Formula: C14H24O5 MolecularWeight: 272.33736

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1CC(C(OC(C1O)CCC(=O)C)CC(=O)C)O

Isomeric SMILES

C[C@@H]1C[C@@H]([C@H](O[C@H]([C@@H]1O)CCC(=O)C)CC(=O)C)O

InChI

InChI=1S/C14H24O5/c1-8-6-11(17)13(7-10(3)16)19-12(14(8)18)5-4-9(2)15/h8,11-14,17-18H,4-7H2,1-3H3/t8-,11+,12+,13-,14-/m1/s1