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

Systemtic Name: methyl (1R,4aR,6R,7S,7aR)-1-[(2S,3R,4S,5S,6R)-6-[(3-hydroxyphenyl)carbonyloxymethyl]-3,4,5-tris(oxidanyl)oxan-2-yl]oxy-7-methyl-6-oxidanyl-1,4a,5,6,7,7a-hexahydrocyclopenta[c]pyran-4-carboxylate Openeye Name: methyl (1R,4aR,6R,7S,7aR)-6-hydroxy-7-methyl-1-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-[(3-hydroxybenzoyl)oxymethyl]tetrahydropyran-2-yl]oxy-1,4a,5,6,7,7a-hexahydrocyclopenta[c]pyran-4-carboxylate CAS Name: (1R,4aR,6R,7S,7aR)-6-hydroxy-7-methyl-1-[[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-[[(3-hydroxyphenyl)-oxomethoxy]methyl]-2-oxanyl]oxy]-1,4a,5,6,7,7a-hexahydrocyclopenta[c]pyran-4-carboxylic acid methyl ester IUPAC Name: methyl (1R,4aR,6R,7S,7aR)-6-hydroxy-7-methyl-1-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-[(3-hydroxybenzoyl)oxymethyl]oxan-2-yl]oxy-1,4a,5,6,7,7a-hexahydrocyclopenta[c]pyran-4-carboxylate Traditional Name: (1R,4aR,6R,7S,7aR)-6-hydroxy-7-methyl-1-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-[(3-hydroxybenzoyl)oxymethyl]tetrahydropyran-2-yl]oxy-1,4a,5,6,7,7a-hexahydrocyclopenta[c]pyran-4-carboxylic acid methyl ester Formula: C24H30O12 MolecularWeight: 510.4878

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Descriptors Computed from Structure

Canonical SMILES:

CC1C(CC2C1C(OC=C2C(=O)OC)OC3C(C(C(C(O3)COC(=O)C4=CC(=CC=C4)O)O)O)O)O

Isomeric SMILES

C[C@@H]1[C@@H](C[C@@H]2[C@H]1[C@H](OC=C2C(=O)OC)O[C@H]3[C@@H]([C@H]([C@@H]([C@H](O3)COC(=O)C4=CC(=CC=C4)O)O)O)O)O

InChI

InChI=1S/C24H30O12/c1-10-15(26)7-13-14(22(31)32-2)8-34-23(17(10)13)36-24-20(29)19(28)18(27)16(35-24)9-33-21(30)11-4-3-5-12(25)6-11/h3-6,8,10,13,15-20,23-29H,7,9H2,1-2H3/t10-,13+,15-,16-,17+,18-,19+,20-,23-,24+/m1/s1