7-(hydroxymethyl)-1-[(2S,3R,4R,5S,6R)-6-(hydroxymethyl)-3,4,5-tris(oxidanyl)oxan-2-yl]oxy-5-methoxy-1,4a,5,7a-tetrahydrocyclopenta[c]pyran-4-carboxylic acid

Systemtic Name: 7-(hydroxymethyl)-1-[(2S,3R,4R,5S,6R)-6-(hydroxymethyl)-3,4,5-tris(oxidanyl)oxan-2-yl]oxy-5-methoxy-1,4a,5,7a-tetrahydrocyclopenta[c]pyran-4-carboxylic acid Openeye Name: 7-(hydroxymethyl)-5-methoxy-1-[(2S,3R,4R,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydropyran-2-yl]oxy-1,4a,5,7a-tetrahydrocyclopenta[c]pyran-4-carboxylic acid CAS Name: 7-(hydroxymethyl)-5-methoxy-1-[[(2S,3R,4R,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)-2-oxanyl]oxy]-1,4a,5,7a-tetrahydrocyclopenta[c]pyran-4-carboxylic acid IUPAC Name: 7-(hydroxymethyl)-5-methoxy-1-[(2S,3R,4R,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-1,4a,5,7a-tetrahydrocyclopenta[c]pyran-4-carboxylic acid Traditional Name: 5-methoxy-7-methylol-1-[(2S,3R,4R,5S,6R)-3,4,5-trihydroxy-6-methylol-tetrahydropyran-2-yl]oxy-1,4a,5,7a-tetrahydrocyclopenta[c]pyran-4-carboxylic acid Formula: C17H24O11 MolecularWeight: 404.36586

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1C=C(C2C1C(=COC2OC3C(C(C(C(O3)CO)O)O)O)C(=O)O)CO

Isomeric SMILES

COC1C=C(C2C1C(=COC2O[C@H]3[C@@H]([C@@H]([C@@H]([C@H](O3)CO)O)O)O)C(=O)O)CO

InChI

InChI=1S/C17H24O11/c1-25-8-2-6(3-18)10-11(8)7(15(23)24)5-26-16(10)28-17-14(22)13(21)12(20)9(4-19)27-17/h2,5,8-14,16-22H,3-4H2,1H3,(H,23,24)/t8?,9-,10?,11?,12-,13-,14-,16?,17+/m1/s1