[(3S,5R,8S,9R)-11-(2,2-dimethylpropanoyloxy)-8-methyl-3,5,9-tris(oxidanyl)undecyl] 2,2-dimethylpropanoate

Systemtic Name: [(3S,5R,8S,9R)-11-(2,2-dimethylpropanoyloxy)-8-methyl-3,5,9-tris(oxidanyl)undecyl] 2,2-dimethylpropanoate Openeye Name: [(3S,5R,8S,9R)-11-(2,2-dimethylpropanoyloxy)-3,5,9-trihydroxy-8-methyl-undecyl] 2,2-dimethylpropanoate CAS Name: 2,2-dimethylpropanoic acid [(3S,5R,8S,9R)-11-(2,2-dimethyl-1-oxopropoxy)-3,5,9-trihydroxy-8-methylundecyl] ester IUPAC Name: [(3S,5R,8S,9R)-11-(2,2-dimethylpropanoyloxy)-3,5,9-trihydroxy-8-methylundecyl] 2,2-dimethylpropanoate Traditional Name: 2,2-dimethylpropionic acid [(3S,5R,8S,9R)-3,5,9-trihydroxy-8-methyl-11-pivaloyloxy-undecyl] ester Formula: C22H42O7 MolecularWeight: 418.56468

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Descriptors Computed from Structure

Canonical SMILES:

CC(CCC(CC(CCOC(=O)C(C)(C)C)O)O)C(CCOC(=O)C(C)(C)C)O

Isomeric SMILES

C[C@@H](CC[C@H](C[C@H](CCOC(=O)C(C)(C)C)O)O)[C@@H](CCOC(=O)C(C)(C)C)O

InChI

InChI=1S/C22H42O7/c1-15(18(25)11-13-29-20(27)22(5,6)7)8-9-16(23)14-17(24)10-12-28-19(26)21(2,3)4/h15-18,23-25H,8-14H2,1-7H3/t15-,16+,17-,18+/m0/s1