(2S)-2-[3-[(1R,2R)-2-[(2S,3S,4R,5S,6S)-6-methyl-3,4,5-tris(oxidanyl)oxan-2-yl]oxycyclohexyl]oxyphenoxy]-3-phenyl-propanoic acid

Systemtic Name: (2S)-2-[3-[(1R,2R)-2-[(2S,3S,4R,5S,6S)-6-methyl-3,4,5-tris(oxidanyl)oxan-2-yl]oxycyclohexyl]oxyphenoxy]-3-phenyl-propanoic acid Openeye Name: (2S)-3-phenyl-2-[3-[(1R,2R)-2-[(2S,3S,4R,5S,6S)-3,4,5-trihydroxy-6-methyl-tetrahydropyran-2-yl]oxycyclohexoxy]phenoxy]propanoic acid CAS Name: (2S)-3-phenyl-2-[3-[(1R,2R)-2-[[(2S,3S,4R,5S,6S)-3,4,5-trihydroxy-6-methyl-2-oxanyl]oxy]cyclohexyl]oxyphenoxy]propanoic acid IUPAC Name: (2S)-3-phenyl-2-[3-[(1R,2R)-2-[(2S,3S,4R,5S,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxycyclohexyl]oxyphenoxy]propanoic acid Traditional Name: (2S)-3-phenyl-2-[3-[(1R,2R)-2-[(2S,3S,4R,5S,6S)-3,4,5-trihydroxy-6-methyl-tetrahydropyran-2-yl]oxycyclohexoxy]phenoxy]propionic acid Formula: C27H34O9 MolecularWeight: 502.55346

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1C(C(C(C(O1)OC2CCCCC2OC3=CC(=CC=C3)OC(CC4=CC=CC=C4)C(=O)O)O)O)O

Isomeric SMILES

C[C@H]1[C@H]([C@H]([C@@H]([C@@H](O1)O[C@@H]2CCCC[C@H]2OC3=CC(=CC=C3)O[C@@H](CC4=CC=CC=C4)C(=O)O)O)O)O

InChI

InChI=1S/C27H34O9/c1-16-23(28)24(29)25(30)27(33-16)36-21-13-6-5-12-20(21)34-18-10-7-11-19(15-18)35-22(26(31)32)14-17-8-3-2-4-9-17/h2-4,7-11,15-16,20-25,27-30H,5-6,12-14H2,1H3,(H,31,32)/t16-,20+,21+,22-,23+,24+,25-,27-/m0/s1