[(1S,2S,3aR,4S,5S,6E,9S,10R,11R,12S,13E)-3a,4,9,10,11-pentaacetyloxy-2,5,8,8,12-pentamethyl-12-oxidanyl-1,2,3,4,5,9,10,11-octahydrocyclopenta[12]annulen-1-yl] benzoate

Systemtic Name: [(1S,2S,3aR,4S,5S,6E,9S,10R,11R,12S,13E)-3a,4,9,10,11-pentaacetyloxy-2,5,8,8,12-pentamethyl-12-oxidanyl-1,2,3,4,5,9,10,11-octahydrocyclopenta[12]annulen-1-yl] benzoate Openeye Name: [(1S,2S,3aR,4S,5S,6E,9S,10R,11R,12S,13E)-3a,4,9,10,11-pentaacetoxy-12-hydroxy-2,5,8,8,12-pentamethyl-1,2,3,4,5,9,10,11-octahydrocyclopenta[12]annulen-1-yl] benzoate CAS Name: benzoic acid [(1S,2S,3aR,4S,5S,6E,9S,10R,11R,12S,13E)-3a,4,9,10,11-pentaacetyloxy-12-hydroxy-2,5,8,8,12-pentamethyl-1,2,3,4,5,9,10,11-octahydrocyclopenta[12]annulen-1-yl] ester IUPAC Name: [(1S,2S,3aR,4S,5S,6E,9S,10R,11R,12S,13E)-3a,4,9,10,11-pentaacetyloxy-12-hydroxy-2,5,8,8,12-pentamethyl-1,2,3,4,5,9,10,11-octahydrocyclopenta[12]annulen-1-yl] benzoate Traditional Name: benzoic acid [(1S,2S,3aR,4S,5S,6E,9S,10R,11R,12S,13E)-3a,4,9,10,11-pentaacetoxy-12-hydroxy-2,5,8,8,12-pentamethyl-1,2,3,4,5,9,10,11-octahydrocyclopentacyclododecen-1-yl] ester Formula: C37H48O13 MolecularWeight: 700.76922

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Descriptors Computed from Structure

Canonical SMILES:

CC1CC2(C(C(C=CC(C(C(C(C(C=C2C1OC(=O)C3=CC=CC=C3)(C)O)OC(=O)C)OC(=O)C)OC(=O)C)(C)C)C)OC(=O)C)OC(=O)C

Isomeric SMILES

C[C@H]1C[C@@]\2([C@H]([C@H](/C=C/C([C@@H]([C@H]([C@H]([C@@](/C=C2\[C@H]1OC(=O)C3=CC=CC=C3)(C)O)OC(=O)C)OC(=O)C)OC(=O)C)(C)C)C)OC(=O)C)OC(=O)C

InChI

InChI=1S/C37H48O13/c1-20-16-17-35(8,9)32(47-24(5)40)30(45-22(3)38)33(48-25(6)41)36(10,44)19-28-29(49-34(43)27-14-12-11-13-15-27)21(2)18-37(28,50-26(7)42)31(20)46-23(4)39/h11-17,19-21,29-33,44H,18H2,1-10H3/b17-16+,28-19+/t20-,21-,29-,30+,31-,32+,33+,36-,37+/m0/s1