methyl (1S,5R,7S)-1-[(2S,3R,4S,5S,6R)-6-(hydroxymethyl)-3,4,5-tris(oxidanyl)oxan-2-yl]oxy-7-methyl-4a,5,6-tris(oxidanyl)-5,6,7,7a-tetrahydro-1H-cyclopenta[c]pyran-4-carboxylate

Systemtic Name: methyl (1S,5R,7S)-1-[(2S,3R,4S,5S,6R)-6-(hydroxymethyl)-3,4,5-tris(oxidanyl)oxan-2-yl]oxy-7-methyl-4a,5,6-tris(oxidanyl)-5,6,7,7a-tetrahydro-1H-cyclopenta[c]pyran-4-carboxylate Openeye Name: methyl (1S,5R,7S)-4a,5,6-trihydroxy-7-methyl-1-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydropyran-2-yl]oxy-5,6,7,7a-tetrahydro-1H-cyclopenta[c]pyran-4-carboxylate CAS Name: (1S,5R,7S)-4a,5,6-trihydroxy-7-methyl-1-[[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)-2-oxanyl]oxy]-5,6,7,7a-tetrahydro-1H-cyclopenta[c]pyran-4-carboxylic acid methyl ester IUPAC Name: methyl (1S,5R,7S)-4a,5,6-trihydroxy-7-methyl-1-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-5,6,7,7a-tetrahydro-1H-cyclopenta[c]pyran-4-carboxylate Traditional Name: (1S,5R,7S)-4a,5,6-trihydroxy-7-methyl-1-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-methylol-tetrahydropyran-2-yl]oxy-5,6,7,7a-tetrahydro-1H-cyclopenta[c]pyran-4-carboxylic acid methyl ester Formula: C17H26O12 MolecularWeight: 422.38114

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1C2C(OC=C(C2(C(C1O)O)O)C(=O)OC)OC3C(C(C(C(O3)CO)O)O)O

Isomeric SMILES

C[C@@H]1C([C@H](C2(C1[C@@H](OC=C2C(=O)OC)O[C@H]3[C@@H]([C@H]([C@@H]([C@H](O3)CO)O)O)O)O)O)O

InChI

InChI=1S/C17H26O12/c1-5-8-15(29-16-12(22)11(21)10(20)7(3-18)28-16)27-4-6(14(24)26-2)17(8,25)13(23)9(5)19/h4-5,7-13,15-16,18-23,25H,3H2,1-2H3/t5-,7+,8?,9?,10+,11-,12+,13+,15-,16-,17?/m0/s1