ethyl (4S)-4-acetyloxy-4-[(1S,5S)-5-acetyloxy-6-[(E)-oct-2-enyl]-8-oxidanylidene-2-bicyclo[3.2.1]octa-3,6-dienyl]butanoate

Systemtic Name: ethyl (4S)-4-acetyloxy-4-[(1S,5S)-5-acetyloxy-6-[(E)-oct-2-enyl]-8-oxidanylidene-2-bicyclo[3.2.1]octa-3,6-dienyl]butanoate Openeye Name: ethyl (4S)-4-acetoxy-4-[(1S,5S)-5-acetoxy-6-[(E)-oct-2-enyl]-8-oxo-2-bicyclo[3.2.1]octa-3,6-dienyl]butanoate CAS Name: (4S)-4-acetyloxy-4-[(1S,5S)-5-acetyloxy-6-[(E)-oct-2-enyl]-8-oxo-2-bicyclo[3.2.1]octa-3,6-dienyl]butanoic acid ethyl ester IUPAC Name: ethyl (4S)-4-acetyloxy-4-[(1S,5S)-5-acetyloxy-6-[(E)-oct-2-enyl]-8-oxo-2-bicyclo[3.2.1]octa-3,6-dienyl]butanoate Traditional Name: (4S)-4-acetoxy-4-[(1S,5S)-5-acetoxy-8-keto-6-[(E)-oct-2-enyl]-2-bicyclo[3.2.1]octa-3,6-dienyl]butyric acid ethyl ester Formula: C26H36O7 MolecularWeight: 460.55984

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCC=CCC1=CC2C(C=CC1(C2=O)OC(=O)C)C(CCC(=O)OCC)OC(=O)C

Isomeric SMILES

CCCCC/C=C/CC1=C[C@H]2C(C=C[C@]1(C2=O)OC(=O)C)[C@H](CCC(=O)OCC)OC(=O)C

InChI

InChI=1S/C26H36O7/c1-5-7-8-9-10-11-12-20-17-22-21(15-16-26(20,25(22)30)33-19(4)28)23(32-18(3)27)13-14-24(29)31-6-2/h10-11,15-17,21-23H,5-9,12-14H2,1-4H3/b11-10+/t21?,22-,23-,26-/m0/s1