(1S,4aS,6S,7R,7aS)-1-[(2S,3R,4R,5S,6R)-5-acetyloxy-6-(hydroxymethyl)-3,4-bis(oxidanyl)oxan-2-yl]oxy-7-methyl-6-oxidanyl-1,4a,5,6,7,7a-hexahydrocyclopenta[c]pyran-4-carboxylic acid

Systemtic Name: (1S,4aS,6S,7R,7aS)-1-[(2S,3R,4R,5S,6R)-5-acetyloxy-6-(hydroxymethyl)-3,4-bis(oxidanyl)oxan-2-yl]oxy-7-methyl-6-oxidanyl-1,4a,5,6,7,7a-hexahydrocyclopenta[c]pyran-4-carboxylic acid Openeye Name: (1S,4aS,6S,7R,7aS)-1-[(2S,3R,4R,5S,6R)-5-acetoxy-3,4-dihydroxy-6-(hydroxymethyl)tetrahydropyran-2-yl]oxy-6-hydroxy-7-methyl-1,4a,5,6,7,7a-hexahydrocyclopenta[c]pyran-4-carboxylic acid CAS Name: (1S,4aS,6S,7R,7aS)-1-[[(2S,3R,4R,5S,6R)-5-acetyloxy-3,4-dihydroxy-6-(hydroxymethyl)-2-oxanyl]oxy]-6-hydroxy-7-methyl-1,4a,5,6,7,7a-hexahydrocyclopenta[c]pyran-4-carboxylic acid IUPAC Name: (1S,4aS,6S,7R,7aS)-1-[(2S,3R,4R,5S,6R)-5-acetyloxy-3,4-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-6-hydroxy-7-methyl-1,4a,5,6,7,7a-hexahydrocyclopenta[c]pyran-4-carboxylic acid Traditional Name: (1S,4aS,6S,7R,7aS)-1-[(2S,3R,4R,5S,6R)-5-acetoxy-3,4-dihydroxy-6-methylol-tetrahydropyran-2-yl]oxy-6-hydroxy-7-methyl-1,4a,5,6,7,7a-hexahydrocyclopenta[c]pyran-4-carboxylic acid Formula: C18H26O11 MolecularWeight: 418.39244

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Descriptors Computed from Structure

Canonical SMILES:

CC1C(CC2C1C(OC=C2C(=O)O)OC3C(C(C(C(O3)CO)OC(=O)C)O)O)O

Isomeric SMILES

C[C@H]1[C@H](C[C@H]2[C@@H]1[C@@H](OC=C2C(=O)O)O[C@H]3[C@@H]([C@H]([C@@H]([C@H](O3)CO)OC(=O)C)O)O)O

InChI

InChI=1S/C18H26O11/c1-6-10(21)3-8-9(16(24)25)5-26-17(12(6)8)29-18-14(23)13(22)15(27-7(2)20)11(4-19)28-18/h5-6,8,10-15,17-19,21-23H,3-4H2,1-2H3,(H,24,25)/t6-,8+,10-,11+,12+,13+,14+,15+,17-,18-/m0/s1