[(1S,3R,7S,8S,8aR)-3-[(2-diethoxyphosphorylethylamino)methyl]-7-methyl-8-[2-[(2R,4R)-4-oxidanyl-6-oxidanylidene-oxan-2-yl]ethyl]-1,2,3,7,8,8a-hexahydronaphthalen-1-yl] 2,2-dimethylbutanoate

Systemtic Name: [(1S,3R,7S,8S,8aR)-3-[(2-diethoxyphosphorylethylamino)methyl]-7-methyl-8-[2-[(2R,4R)-4-oxidanyl-6-oxidanylidene-oxan-2-yl]ethyl]-1,2,3,7,8,8a-hexahydronaphthalen-1-yl] 2,2-dimethylbutanoate Openeye Name: [(1S,3R,7S,8S,8aR)-3-[(2-diethoxyphosphorylethylamino)methyl]-8-[2-[(2R,4R)-4-hydroxy-6-oxo-tetrahydropyran-2-yl]ethyl]-7-methyl-1,2,3,7,8,8a-hexahydronaphthalen-1-yl] 2,2-dimethylbutanoate CAS Name: 2,2-dimethylbutanoic acid [(1S,3R,7S,8S,8aR)-3-[(2-diethoxyphosphorylethylamino)methyl]-8-[2-[(2R,4R)-4-hydroxy-6-oxo-2-oxanyl]ethyl]-7-methyl-1,2,3,7,8,8a-hexahydronaphthalen-1-yl] ester IUPAC Name: [(1S,3R,7S,8S,8aR)-3-[(2-diethoxyphosphorylethylamino)methyl]-8-[2-[(2R,4R)-4-hydroxy-6-oxooxan-2-yl]ethyl]-7-methyl-1,2,3,7,8,8a-hexahydronaphthalen-1-yl] 2,2-dimethylbutanoate Traditional Name: 2,2-dimethylbutyric acid [(1S,3R,7S,8S,8aR)-3-[(2-diethoxyphosphorylethylamino)methyl]-8-[2-[(2R,4R)-4-hydroxy-6-keto-tetrahydropyran-2-yl]ethyl]-7-methyl-1,2,3,7,8,8a-hexahydronaphthalen-1-yl] ester Formula: C31H52NO8P MolecularWeight: 597.720241

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC(C)(C)C(=O)OC1CC(C=C2C1C(C(C=C2)C)CCC3CC(CC(=O)O3)O)CNCCP(=O)(OCC)OCC

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]3C[C@H](CC(=O)O3)O)CNCCP(=O)(OCC)OCC

InChI

InChI=1S/C31H52NO8P/c1-7-31(5,6)30(35)40-27-17-22(20-32-14-15-41(36,37-8-2)38-9-3)16-23-11-10-21(4)26(29(23)27)13-12-25-18-24(33)19-28(34)39-25/h10-11,16,21-22,24-27,29,32-33H,7-9,12-15,17-20H2,1-6H3/t21-,22-,24+,25+,26-,27-,29-/m0/s1