[(1S,2R,4aR,5R,8R,8aR)-2-(2-acetyloxyethanoyloxy)-3,8-dimethyl-8a-oxidanyl-5-prop-1-en-2-yl-2,4a,5,6,7,8-hexahydro-1H-naphthalen-1-yl] (2S,3aR,9bR)-6-chloranyl-5-methyl-9b-oxidanyl-1,2,3,3a-tetrahydropyrrolo[2,3-c][2,1]benzoxazine-2-carboxylate

Systemtic Name: [(1S,2R,4aR,5R,8R,8aR)-2-(2-acetyloxyethanoyloxy)-3,8-dimethyl-8a-oxidanyl-5-prop-1-en-2-yl-2,4a,5,6,7,8-hexahydro-1H-naphthalen-1-yl] (2S,3aR,9bR)-6-chloranyl-5-methyl-9b-oxidanyl-1,2,3,3a-tetrahydropyrrolo[2,3-c][2,1]benzoxazine-2-carboxylate Openeye Name: [(1S,2R,4aR,5R,8R,8aR)-2-(2-acetoxyacetyl)oxy-8a-hydroxy-5-isopropenyl-3,8-dimethyl-2,4a,5,6,7,8-hexahydro-1H-naphthalen-1-yl] (2S,3aR,9bR)-6-chloro-9b-hydroxy-5-methyl-1,2,3,3a-tetrahydropyrrolo[2,3-c][2,1]benzoxazine-2-carboxylate CAS Name: (2S,3aR,9bR)-6-chloro-9b-hydroxy-5-methyl-1,2,3,3a-tetrahydropyrrolo[2,3-c][2,1]benzoxazine-2-carboxylic acid [(1S,2R,4aR,5R,8R,8aR)-2-(2-acetyloxy-1-oxoethoxy)-8a-hydroxy-3,8-dimethyl-5-(1-methylethenyl)-2,4a,5,6,7,8-hexahydro-1H-naphthalen-1-yl] ester IUPAC Name: [(1S,2R,4aR,5R,8R,8aR)-2-(2-acetyloxyacetyl)oxy-8a-hydroxy-3,8-dimethyl-5-prop-1-en-2-yl-2,4a,5,6,7,8-hexahydro-1H-naphthalen-1-yl] (2S,3aR,9bR)-6-chloro-9b-hydroxy-5-methyl-1,2,3,3a-tetrahydropyrrolo[2,3-c][2,1]benzoxazine-2-carboxylate Traditional Name: (2S,3aR,9bR)-6-chloro-9b-hydroxy-5-methyl-1,2,3,3a-tetrahydropyrrolo[2,3-c][2,1]benzoxazine-2-carboxylic acid [(1S,2R,4aR,5R,8R,8aR)-2-(2-acetoxyacetyl)oxy-8a-hydroxy-5-isopropenyl-3,8-dimethyl-2,4a,5,6,7,8-hexahydro-1H-naphthalen-1-yl] ester Formula: C31H39ClN2O9 MolecularWeight: 619.10236

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCC(C2C1(C(C(C(=C2)C)OC(=O)COC(=O)C)OC(=O)C3CC4(C(N3)ON(C5=C4C=CC=C5Cl)C)O)O)C(=C)C

Isomeric SMILES

C[C@@H]1CC[C@H]([C@@H]2[C@]1([C@H]([C@@H](C(=C2)C)OC(=O)COC(=O)C)OC(=O)[C@@H]3C[C@@]4([C@H](N3)ON(C5=C4C=CC=C5Cl)C)O)O)C(=C)C

InChI

InChI=1S/C31H39ClN2O9/c1-15(2)19-11-10-17(4)31(39)21(19)12-16(3)26(41-24(36)14-40-18(5)35)27(31)42-28(37)23-13-30(38)20-8-7-9-22(32)25(20)34(6)43-29(30)33-23/h7-9,12,17,19,21,23,26-27,29,33,38-39H,1,10-11,13-14H2,2-6H3/t17-,19+,21-,23+,26-,27+,29-,30-,31-/m1/s1