5-[[(2R,3R,4S,5S,6R)-6-(hydroxymethyl)-3,4,5-tris(oxidanyl)oxan-2-yl]oxymethyl]-3,5-dimethyl-4-oxidanyl-4-[(E)-3-oxidanylbut-1-enyl]cyclohex-2-en-1-one

Systemtic Name: 5-[[(2R,3R,4S,5S,6R)-6-(hydroxymethyl)-3,4,5-tris(oxidanyl)oxan-2-yl]oxymethyl]-3,5-dimethyl-4-oxidanyl-4-[(E)-3-oxidanylbut-1-enyl]cyclohex-2-en-1-one Openeye Name: 4-hydroxy-4-[(E)-3-hydroxybut-1-enyl]-3,5-dimethyl-5-[[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydropyran-2-yl]oxymethyl]cyclohex-2-en-1-one CAS Name: 4-hydroxy-4-[(E)-3-hydroxybut-1-enyl]-3,5-dimethyl-5-[[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)-2-oxanyl]oxymethyl]-1-cyclohex-2-enone IUPAC Name: 4-hydroxy-4-[(E)-3-hydroxybut-1-enyl]-3,5-dimethyl-5-[[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]cyclohex-2-en-1-one Traditional Name: 4-hydroxy-4-[(E)-3-hydroxybut-1-enyl]-3,5-dimethyl-5-[[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-methylol-tetrahydropyran-2-yl]oxymethyl]cyclohex-2-en-1-one Formula: C19H30O9 MolecularWeight: 402.4361

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=O)CC(C1(C=CC(C)O)O)(C)COC2C(C(C(C(O2)CO)O)O)O

Isomeric SMILES

CC1=CC(=O)CC(C1(/C=C/C(C)O)O)(C)CO[C@H]2[C@@H]([C@H]([C@@H]([C@H](O2)CO)O)O)O

InChI

InChI=1S/C19H30O9/c1-10-6-12(22)7-18(3,19(10,26)5-4-11(2)21)9-27-17-16(25)15(24)14(23)13(8-20)28-17/h4-6,11,13-17,20-21,23-26H,7-9H2,1-3H3/b5-4+/t11?,13-,14-,15+,16-,17-,18?,19?/m1/s1