[(2R,3R,4S,5R,6S)-6-[[(1S,4aR,5R,7aS)-5-(2,2-dimethylpropanoyloxy)-7-(2,2-dimethylpropanoyloxymethyl)-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,5R,7aS)-5-(2,2-dimethylpropanoyloxy)-7-(2,2-dimethylpropanoyloxymethyl)-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,5R,7aS)-5-(2,2-dimethylpropanoyloxy)-7-(2,2-dimethylpropanoyloxymethyl)-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,5R,7aS)-5-(2,2-dimethyl-1-oxopropoxy)-7-[(2,2-dimethyl-1-oxopropoxy)methyl]-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,5R,7aS)-5-(2,2-dimethylpropanoyloxy)-7-(2,2-dimethylpropanoyloxymethyl)-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,5R,7aS)-5-pivaloyloxy-7-(pivaloyloxymethyl)-1,4a,5,7a-tetrahydrocyclopenta[c]pyran-1-yl]oxy]-3,4,5-tripivaloyloxy-tetrahydropyran-2-yl]methyl ester Formula: C45H70O15 MolecularWeight: 851.0283

Click to see the large picture

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)OC(=O)C(C)(C)C)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)OC(=O)C(C)(C)C)OC(=O)C(C)(C)C)OC(=O)C(C)(C)C)OC(=O)C(C)(C)C

InChI

InChI=1S/C45H70O15/c1-40(2,3)34(46)53-22-24-21-26(56-36(48)42(7,8)9)25-19-20-52-32(28(24)25)60-33-31(59-39(51)45(16,17)18)30(58-38(50)44(13,14)15)29(57-37(49)43(10,11)12)27(55-33)23-54-35(47)41(4,5)6/h19-21,25-33H,22-23H2,1-18H3/t25-,26-,27+,28+,29+,30-,31+,32-,33-/m0/s1