ethyl (2S,3aR,3bS,5aR,6R,8aS,8bS)-6-[(2R,5S)-5-ethyl-6-methyl-heptan-2-yl]-3a,5a-dimethyl-2-oxidanyl-1,9-bis(oxidanylidene)-3b,4,5,6,7,8,8a,8b-octahydro-3H-indeno[5,4-e]indene-2-carboxylate

Systemtic Name: ethyl (2S,3aR,3bS,5aR,6R,8aS,8bS)-6-[(2R,5S)-5-ethyl-6-methyl-heptan-2-yl]-3a,5a-dimethyl-2-oxidanyl-1,9-bis(oxidanylidene)-3b,4,5,6,7,8,8a,8b-octahydro-3H-indeno[5,4-e]indene-2-carboxylate Openeye Name: ethyl (2S,3aR,3bS,5aR,6R,8aS,8bS)-6-[(1R,4S)-4-ethyl-1,5-dimethyl-hexyl]-2-hydroxy-3a,5a-dimethyl-1,9-dioxo-3b,4,5,6,7,8,8a,8b-octahydro-3H-indeno[5,4-e]indene-2-carboxylate CAS Name: (2S,3aR,3bS,5aR,6R,8aS,8bS)-6-[(2R,5S)-5-ethyl-6-methylheptan-2-yl]-2-hydroxy-3a,5a-dimethyl-1,9-dioxo-3b,4,5,6,7,8,8a,8b-octahydro-3H-indeno[5,4-e]indene-2-carboxylic acid ethyl ester IUPAC Name: ethyl (2S,3aR,3bS,5aR,6R,8aS,8bS)-6-[(2R,5S)-5-ethyl-6-methylheptan-2-yl]-2-hydroxy-3a,5a-dimethyl-1,9-dioxo-3b,4,5,6,7,8,8a,8b-octahydro-3H-indeno[5,4-e]indene-2-carboxylate Traditional Name: (2S,3aR,3bS,5aR,6R,8aS,8bS)-6-[(1R,4S)-4-ethyl-1,5-dimethyl-hexyl]-2-hydroxy-1,9-diketo-3a,5a-dimethyl-3b,4,5,6,7,8,8a,8b-octahydro-3H-inden[5,4-e]indene-2-carboxylic acid ethyl ester Formula: C31H48O5 MolecularWeight: 500.70982

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Descriptors Computed from Structure

Canonical SMILES:

CCC(CCC(C)C1CCC2C1(CCC3C2C(=O)C=C4C3(CC(C4=O)(C(=O)OCC)O)C)C)C(C)C

Isomeric SMILES

CC[C@@H](CC[C@@H](C)[C@H]1CC[C@@H]2[C@@]1(CC[C@H]3[C@H]2C(=O)C=C4[C@@]3(C[C@](C4=O)(C(=O)OCC)O)C)C)C(C)C

InChI

InChI=1S/C31H48O5/c1-8-20(18(3)4)11-10-19(5)21-12-13-22-26-23(14-15-29(21,22)6)30(7)17-31(35,28(34)36-9-2)27(33)24(30)16-25(26)32/h16,18-23,26,35H,8-15,17H2,1-7H3/t19-,20+,21-,22+,23+,26+,29-,30-,31+/m1/s1