[(1S)-1-[4-[(3R,4S,5S,6R)-6-(hydroxymethyl)-3,4,5-tris(oxidanyl)oxan-2-yl]oxy-5-oxidanyl-3-oxidanylidene-furan-2-yl]-1-oxidanyl-propan-2-yl] 2-propylpentanoate

Systemtic Name: [(1S)-1-[4-[(3R,4S,5S,6R)-6-(hydroxymethyl)-3,4,5-tris(oxidanyl)oxan-2-yl]oxy-5-oxidanyl-3-oxidanylidene-furan-2-yl]-1-oxidanyl-propan-2-yl] 2-propylpentanoate Openeye Name: [(2S)-2-hydroxy-2-[5-hydroxy-3-oxo-4-[(3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydropyran-2-yl]oxy-2-furyl]-1-methyl-ethyl] 2-propylpentanoate CAS Name: 2-propylpentanoic acid [(1S)-1-hydroxy-1-[5-hydroxy-3-oxo-4-[[(3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)-2-oxanyl]oxy]-2-furanyl]propan-2-yl] ester IUPAC Name: [(1S)-1-hydroxy-1-[5-hydroxy-3-oxo-4-[(3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyfuran-2-yl]propan-2-yl] 2-propylpentanoate Traditional Name: 2-propylvaleric acid [(2S)-2-hydroxy-2-[5-hydroxy-3-keto-4-[(3R,4S,5S,6R)-3,4,5-trihydroxy-6-methylol-tetrahydropyran-2-yl]oxy-2-furyl]-1-methyl-ethyl] ester Formula: C21H34O12 MolecularWeight: 478.48746

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCC(CCC)C(=O)OC(C)C(C1C(=O)C(=C(O1)O)OC2C(C(C(C(O2)CO)O)O)O)O

Isomeric SMILES

CCCC(CCC)C(=O)OC(C)[C@@H](C1C(=O)C(=C(O1)O)OC2[C@@H]([C@H]([C@@H]([C@H](O2)CO)O)O)O)O

InChI

InChI=1S/C21H34O12/c1-4-6-10(7-5-2)19(28)30-9(3)12(23)17-16(27)18(20(29)32-17)33-21-15(26)14(25)13(24)11(8-22)31-21/h9-15,17,21-26,29H,4-8H2,1-3H3/t9?,11-,12+,13-,14+,15-,17?,21?/m1/s1