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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC1(C(CC2(C1C(OC=C2C(=O)OC)OC3C(C(C(C(O3)CO)O)O)O)O)O)O

Isomeric SMILES

C[C@]1([C@@H](C[C@@]2([C@H]1[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/c1-16(24)8(19)3-17(25)6(13(23)26-2)5-27-15(12(16)17)29-14-11(22)10(21)9(20)7(4-18)28-14/h5,7-12,14-15,18-22,24-25H,3-4H2,1-2H3/t7-,8-,9-,10-,11-,12+,14+,15-,16-,17-/m1/s1