[(1S,3R,7S,8S,8aR)-8-[(3R,5R)-3,5-bis(oxidanyl)-7-oxidanylidene-7-[(phenylmethyl)amino]heptyl]-3,7-dimethyl-1,2,3,7,8,8a-hexahydronaphthalen-1-yl] 2,2-dimethylbutanoate

Systemtic Name: [(1S,3R,7S,8S,8aR)-8-[(3R,5R)-3,5-bis(oxidanyl)-7-oxidanylidene-7-[(phenylmethyl)amino]heptyl]-3,7-dimethyl-1,2,3,7,8,8a-hexahydronaphthalen-1-yl] 2,2-dimethylbutanoate Openeye Name: [(1S,3R,7S,8S,8aR)-8-[(3R,5R)-7-(benzylamino)-3,5-dihydroxy-7-oxo-heptyl]-3,7-dimethyl-1,2,3,7,8,8a-hexahydronaphthalen-1-yl] 2,2-dimethylbutanoate CAS Name: 2,2-dimethylbutanoic acid [(1S,3R,7S,8S,8aR)-8-[(3R,5R)-3,5-dihydroxy-7-oxo-7-[(phenylmethyl)amino]heptyl]-3,7-dimethyl-1,2,3,7,8,8a-hexahydronaphthalen-1-yl] ester IUPAC Name: [(1S,3R,7S,8S,8aR)-8-[(3R,5R)-7-(benzylamino)-3,5-dihydroxy-7-oxoheptyl]-3,7-dimethyl-1,2,3,7,8,8a-hexahydronaphthalen-1-yl] 2,2-dimethylbutanoate Traditional Name: 2,2-dimethylbutyric acid [(1S,3R,7S,8S,8aR)-8-[(3R,5R)-7-(benzylamino)-3,5-dihydroxy-7-keto-heptyl]-3,7-dimethyl-1,2,3,7,8,8a-hexahydronaphthalen-1-yl] ester Formula: C32H47NO5 MolecularWeight: 525.71928

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)(C)C(=O)OC1CC(C=C2C1C(C(C=C2)C)CCC(CC(CC(=O)NCC3=CC=CC=C3)O)O)C

Isomeric SMILES

CCC(C)(C)C(=O)O[C@H]1C[C@H](C=C2[C@H]1[C@H]([C@H](C=C2)C)CC[C@H](C[C@H](CC(=O)NCC3=CC=CC=C3)O)O)C

InChI

InChI=1S/C32H47NO5/c1-6-32(4,5)31(37)38-28-17-21(2)16-24-13-12-22(3)27(30(24)28)15-14-25(34)18-26(35)19-29(36)33-20-23-10-8-7-9-11-23/h7-13,16,21-22,25-28,30,34-35H,6,14-15,17-20H2,1-5H3,(H,33,36)/t21-,22-,25+,26+,27-,28-,30-/m0/s1