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

Systemtic Name: [(2R,3R,4S,5R,6S)-6-[[(1S,4aR,5S,7aS)-7-(2,2-dimethylpropanoyloxymethyl)-5-oxidanyl-1,4a,5,7a-tetrahydrocyclopenta[c]pyran-1-yl]oxy]-3,4,5-tris(2,2-dimethylpropanoyloxy)oxan-2-yl]methyl 2,2-dimethylpropanoate Openeye Name: [(2R,3R,4S,5R,6S)-6-[[(1S,4aR,5S,7aS)-7-(2,2-dimethylpropanoyloxymethyl)-5-hydroxy-1,4a,5,7a-tetrahydrocyclopenta[c]pyran-1-yl]oxy]-3,4,5-tris(2,2-dimethylpropanoyloxy)tetrahydropyran-2-yl]methyl 2,2-dimethylpropanoate CAS Name: 2,2-dimethylpropanoic acid [(2R,3R,4S,5R,6S)-6-[[(1S,4aR,5S,7aS)-7-[(2,2-dimethyl-1-oxopropoxy)methyl]-5-hydroxy-1,4a,5,7a-tetrahydrocyclopenta[c]pyran-1-yl]oxy]-3,4,5-tris(2,2-dimethyl-1-oxopropoxy)-2-oxanyl]methyl ester IUPAC Name: [(2R,3R,4S,5R,6S)-6-[[(1S,4aR,5S,7aS)-7-(2,2-dimethylpropanoyloxymethyl)-5-hydroxy-1,4a,5,7a-tetrahydrocyclopenta[c]pyran-1-yl]oxy]-3,4,5-tris(2,2-dimethylpropanoyloxy)oxan-2-yl]methyl 2,2-dimethylpropanoate Traditional Name: 2,2-dimethylpropionic acid [(2R,3R,4S,5R,6S)-6-[[(1S,4aR,5S,7aS)-5-hydroxy-7-(pivaloyloxymethyl)-1,4a,5,7a-tetrahydrocyclopenta[c]pyran-1-yl]oxy]-3,4,5-tripivaloyloxy-tetrahydropyran-2-yl]methyl ester Formula: C40H62O14 MolecularWeight: 766.91188

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C(=O)OCC1C(C(C(C(O1)OC2C3C(C=CO2)C(C=C3COC(=O)C(C)(C)C)O)OC(=O)C(C)(C)C)OC(=O)C(C)(C)C)OC(=O)C(C)(C)C

Isomeric SMILES

CC(C)(C)C(=O)OC[C@@H]1[C@H]([C@@H]([C@H]([C@@H](O1)O[C@H]2[C@H]3[C@@H](C=CO2)[C@@H](C=C3COC(=O)C(C)(C)C)O)OC(=O)C(C)(C)C)OC(=O)C(C)(C)C)OC(=O)C(C)(C)C

InChI

InChI=1S/C40H62O14/c1-36(2,3)31(42)48-19-21-18-23(41)22-16-17-47-29(25(21)22)54-30-28(53-35(46)40(13,14)15)27(52-34(45)39(10,11)12)26(51-33(44)38(7,8)9)24(50-30)20-49-32(43)37(4,5)6/h16-18,22-30,41H,19-20H2,1-15H3/t22-,23+,24+,25+,26+,27-,28+,29-,30-/m0/s1