[(2S,4R,5R,5aS,6S,8S,9aR,10S,10aS)-5,10-diacetyloxy-3,5a-dimethyl-9-methylidene-10a-(2-oxidanylpropan-2-yl)-2,4,8-tris(triethylsilyloxy)-2,4,5,6,7,8,9a,10-octahydro-1H-benzo[f]azulen-6-yl] ethanoate

Systemtic Name: [(2S,4R,5R,5aS,6S,8S,9aR,10S,10aS)-5,10-diacetyloxy-3,5a-dimethyl-9-methylidene-10a-(2-oxidanylpropan-2-yl)-2,4,8-tris(triethylsilyloxy)-2,4,5,6,7,8,9a,10-octahydro-1H-benzo[f]azulen-6-yl] ethanoate Openeye Name: [(2S,4R,5R,5aS,6S,8S,9aR,10S,10aS)-5,10-diacetoxy-10a-(1-hydroxy-1-methyl-ethyl)-3,5a-dimethyl-9-methylene-2,4,8-tris(triethylsilyloxy)-2,4,5,6,7,8,9a,10-octahydro-1H-benzo[f]azulen-6-yl] acetate CAS Name: acetic acid [(2S,4R,5R,5aS,6S,8S,9aR,10S,10aS)-5,10-diacetyloxy-10a-(2-hydroxypropan-2-yl)-3,5a-dimethyl-9-methylene-2,4,8-tris(triethylsilyloxy)-2,4,5,6,7,8,9a,10-octahydro-1H-benzo[f]azulen-6-yl] ester IUPAC Name: [(2S,4R,5R,5aS,6S,8S,9aR,10S,10aS)-5,10-diacetyloxy-10a-(2-hydroxypropan-2-yl)-3,5a-dimethyl-9-methylidene-2,4,8-tris(triethylsilyloxy)-2,4,5,6,7,8,9a,10-octahydro-1H-benzo[f]azulen-6-yl] acetate Traditional Name: acetic acid [(2S,4R,5R,5aS,6S,8S,9aR,10S,10aS)-5,10-diacetoxy-10a-(1-hydroxy-1-methyl-ethyl)-3,5a-dimethyl-9-methylene-2,4,8-tris(triethylsilyloxy)-2,4,5,6,7,8,9a,10-octahydro-1H-benz[f]azulen-6-yl] ester Formula: C44H80O10Si3 MolecularWeight: 853.3565

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC[Si](CC)(CC)OC1CC(C2(C(C1=C)C(C3(CC(C(=C3C(C2OC(=O)C)O[Si](CC)(CC)CC)C)O[Si](CC)(CC)CC)C(C)(C)O)OC(=O)C)C)OC(=O)C

Isomeric SMILES

CC[Si](CC)(CC)O[C@H]1C[C@@H]([C@@]2([C@@H](C1=C)[C@@H]([C@@]3(C[C@@H](C(=C3[C@H]([C@@H]2OC(=O)C)O[Si](CC)(CC)CC)C)O[Si](CC)(CC)CC)C(C)(C)O)OC(=O)C)C)OC(=O)C

InChI

InChI=1S/C44H80O10Si3/c1-18-55(19-2,20-3)52-34-27-36(49-31(12)45)43(17)38(29(34)10)40(50-32(13)46)44(42(15,16)48)28-35(53-56(21-4,22-5)23-6)30(11)37(44)39(41(43)51-33(14)47)54-57(24-7,25-8)26-9/h34-36,38-41,48H,10,18-28H2,1-9,11-17H3/t34-,35-,36-,38-,39+,40-,41-,43+,44-/m0/s1