[(2S,4aR,5R,8S,8aS)-8-acetyloxy-2-[(1S)-1-acetyloxyheptyl]-8a-oxidanyl-2,3,4,4a,5,6,7,8-octahydrochromen-5-yl] ethanoate

Systemtic Name: [(2S,4aR,5R,8S,8aS)-8-acetyloxy-2-[(1S)-1-acetyloxyheptyl]-8a-oxidanyl-2,3,4,4a,5,6,7,8-octahydrochromen-5-yl] ethanoate Openeye Name: [(2S,4aR,5R,8S,8aS)-8-acetoxy-2-[(1S)-1-acetoxyheptyl]-8a-hydroxy-2,3,4,4a,5,6,7,8-octahydrochromen-5-yl] acetate CAS Name: acetic acid [(2S,4aR,5R,8S,8aS)-8-acetyloxy-2-[(1S)-1-acetyloxyheptyl]-8a-hydroxy-2,3,4,4a,5,6,7,8-octahydro-1-benzopyran-5-yl] ester IUPAC Name: [(2S,4aR,5R,8S,8aS)-8-acetyloxy-2-[(1S)-1-acetyloxyheptyl]-8a-hydroxy-2,3,4,4a,5,6,7,8-octahydrochromen-5-yl] acetate Traditional Name: acetic acid [(2S,4aR,5R,8S,8aS)-8-acetoxy-2-[(1S)-1-acetoxyheptyl]-8a-hydroxy-2,3,4,4a,5,6,7,8-octahydrochromen-5-yl] ester Formula: C22H36O8 MolecularWeight: 428.51644

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCC(C1CCC2C(CCC(C2(O1)O)OC(=O)C)OC(=O)C)OC(=O)C

Isomeric SMILES

CCCCCC[C@@H]([C@@H]1CC[C@@H]2[C@@H](CC[C@@H]([C@]2(O1)O)OC(=O)C)OC(=O)C)OC(=O)C

InChI

InChI=1S/C22H36O8/c1-5-6-7-8-9-19(28-15(3)24)20-11-10-17-18(27-14(2)23)12-13-21(29-16(4)25)22(17,26)30-20/h17-21,26H,5-13H2,1-4H3/t17-,18-,19+,20+,21+,22+/m1/s1