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

Systemtic Name: methyl (1S,4aR,6S,7R,7aS)-6-(3-cyclohexylpropanoyloxy)-7-methyl-4a,7-bis(oxidanyl)-1-[(2S,3R,4S,5R,6R)-3,4,5-triacetyloxy-6-(acetyloxymethyl)oxan-2-yl]oxy-1,5,6,7a-tetrahydrocyclopenta[c]pyran-4-carboxylate Openeye Name: methyl (1S,4aR,6S,7R,7aS)-6-(3-cyclohexylpropanoyloxy)-4a,7-dihydroxy-7-methyl-1-[(2S,3R,4S,5R,6R)-3,4,5-triacetoxy-6-(acetoxymethyl)tetrahydropyran-2-yl]oxy-1,5,6,7a-tetrahydrocyclopenta[c]pyran-4-carboxylate CAS Name: (1S,4aR,6S,7R,7aS)-6-(3-cyclohexyl-1-oxopropoxy)-4a,7-dihydroxy-7-methyl-1-[[(2S,3R,4S,5R,6R)-3,4,5-triacetyloxy-6-(acetyloxymethyl)-2-oxanyl]oxy]-1,5,6,7a-tetrahydrocyclopenta[c]pyran-4-carboxylic acid methyl ester IUPAC Name: methyl (1S,4aR,6S,7R,7aS)-6-(3-cyclohexylpropanoyloxy)-4a,7-dihydroxy-7-methyl-1-[(2S,3R,4S,5R,6R)-3,4,5-triacetyloxy-6-(acetyloxymethyl)oxan-2-yl]oxy-1,5,6,7a-tetrahydrocyclopenta[c]pyran-4-carboxylate Traditional Name: (1S,4aR,6S,7R,7aS)-6-(3-cyclohexylpropanoyloxy)-4a,7-dihydroxy-7-methyl-1-[(2S,3R,4S,5R,6R)-3,4,5-triacetoxy-6-(acetoxymethyl)tetrahydropyran-2-yl]oxy-1,5,6,7a-tetrahydrocyclopenta[c]pyran-4-carboxylic acid methyl ester Formula: C34H48O17 MolecularWeight: 728.73472

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)OCC1C(C(C(C(O1)OC2C3C(C(CC3(C(=CO2)C(=O)OC)O)OC(=O)CCC4CCCCC4)(C)O)OC(=O)C)OC(=O)C)OC(=O)C

Isomeric SMILES

CC(=O)OC[C@@H]1[C@H]([C@@H]([C@H]([C@@H](O1)O[C@H]2[C@@H]3[C@@]([C@H](C[C@@]3(C(=CO2)C(=O)OC)O)OC(=O)CCC4CCCCC4)(C)O)OC(=O)C)OC(=O)C)OC(=O)C

InChI

InChI=1S/C34H48O17/c1-17(35)44-16-23-26(46-18(2)36)27(47-19(3)37)28(48-20(4)38)31(49-23)51-32-29-33(5,41)24(14-34(29,42)22(15-45-32)30(40)43-6)50-25(39)13-12-21-10-8-7-9-11-21/h15,21,23-24,26-29,31-32,41-42H,7-14,16H2,1-6H3/t23-,24+,26-,27+,28-,29-,31+,32+,33+,34+/m1/s1