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

Systemtic Name: [(1S,3R,7S,8S,8aR)-3-(benzamidomethyl)-7-methyl-8-[2-[(2R,4R)-4-oxidanyl-6-oxidanylidene-oxan-2-yl]ethyl]-1,2,3,7,8,8a-hexahydronaphthalen-1-yl] 2-methylbutanoate Openeye Name: [(1S,3R,7S,8S,8aR)-3-(benzamidomethyl)-8-[2-[(2R,4R)-4-hydroxy-6-oxo-tetrahydropyran-2-yl]ethyl]-7-methyl-1,2,3,7,8,8a-hexahydronaphthalen-1-yl] 2-methylbutanoate CAS Name: 2-methylbutanoic acid [(1S,3R,7S,8S,8aR)-3-(benzamidomethyl)-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-(benzamidomethyl)-8-[2-[(2R,4R)-4-hydroxy-6-oxooxan-2-yl]ethyl]-7-methyl-1,2,3,7,8,8a-hexahydronaphthalen-1-yl] 2-methylbutanoate Traditional Name: 2-methylbutyric acid [(1S,3R,7S,8S,8aR)-3-(benzamidomethyl)-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: C31H41NO6 MolecularWeight: 523.66034

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)C(=O)OC1CC(C=C2C1C(C(C=C2)C)CCC3CC(CC(=O)O3)O)CNC(=O)C4=CC=CC=C4

Isomeric SMILES

CCC(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)CNC(=O)C4=CC=CC=C4

InChI

InChI=1S/C31H41NO6/c1-4-19(2)31(36)38-27-15-21(18-32-30(35)22-8-6-5-7-9-22)14-23-11-10-20(3)26(29(23)27)13-12-25-16-24(33)17-28(34)37-25/h5-11,14,19-21,24-27,29,33H,4,12-13,15-18H2,1-3H3,(H,32,35)/t19?,20-,21-,24+,25+,26-,27-,29-/m0/s1