2-[3-[(2S,3R,4S,5S,6R)-6-(hydroxymethyl)-3,4,5-tris(oxidanyl)oxan-2-yl]oxycarbonyl-8-methyl-1,2,3,5,6,7-hexahydronaphthalen-2-yl]propanoic acid

Systemtic Name: 2-[3-[(2S,3R,4S,5S,6R)-6-(hydroxymethyl)-3,4,5-tris(oxidanyl)oxan-2-yl]oxycarbonyl-8-methyl-1,2,3,5,6,7-hexahydronaphthalen-2-yl]propanoic acid Openeye Name: 2-[8-methyl-3-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydropyran-2-yl]oxycarbonyl-1,2,3,5,6,7-hexahydronaphthalen-2-yl]propanoic acid CAS Name: 2-[8-methyl-3-[oxo-[[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)-2-oxanyl]oxy]methyl]-1,2,3,5,6,7-hexahydronaphthalen-2-yl]propanoic acid IUPAC Name: 2-[8-methyl-3-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxycarbonyl-1,2,3,5,6,7-hexahydronaphthalen-2-yl]propanoic acid Traditional Name: 2-[8-methyl-3-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-methylol-tetrahydropyran-2-yl]oxycarbonyl-1,2,3,5,6,7-hexahydronaphthalen-2-yl]propionic acid Formula: C21H30O9 MolecularWeight: 426.4575

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C2CC(C(C=C2CCC1)C(=O)OC3C(C(C(C(O3)CO)O)O)O)C(C)C(=O)O

Isomeric SMILES

CC1=C2CC(C(C=C2CCC1)C(=O)O[C@H]3[C@@H]([C@H]([C@@H]([C@H](O3)CO)O)O)O)C(C)C(=O)O

InChI

InChI=1S/C21H30O9/c1-9-4-3-5-11-6-14(13(7-12(9)11)10(2)19(26)27)20(28)30-21-18(25)17(24)16(23)15(8-22)29-21/h6,10,13-18,21-25H,3-5,7-8H2,1-2H3,(H,26,27)/t10?,13?,14?,15-,16-,17+,18-,21+/m1/s1