methyl (1S,4aR,4bS,7E,8R,8aS,10R,10aR)-7-[2-(2-dimethylaminoethyloxy)-2-oxidanylidene-ethylidene]-1,4a,8-trimethyl-10-oxidanyl-9-oxidanylidene-2,3,4,4b,5,6,8,8a,10,10a-decahydrophenanthrene-1-carboxylate

Systemtic Name: methyl (1S,4aR,4bS,7E,8R,8aS,10R,10aR)-7-[2-(2-dimethylaminoethyloxy)-2-oxidanylidene-ethylidene]-1,4a,8-trimethyl-10-oxidanyl-9-oxidanylidene-2,3,4,4b,5,6,8,8a,10,10a-decahydrophenanthrene-1-carboxylate Openeye Name: methyl (1S,4aR,4bS,7E,8R,8aS,10R,10aR)-7-[2-(2-dimethylaminoethyloxy)-2-oxo-ethylidene]-10-hydroxy-1,4a,8-trimethyl-9-oxo-2,3,4,4b,5,6,8,8a,10,10a-decahydrophenanthrene-1-carboxylate CAS Name: (1S,4aR,4bS,7E,8R,8aS,10R,10aR)-7-[2-(2-dimethylaminoethyloxy)-2-oxoethylidene]-10-hydroxy-1,4a,8-trimethyl-9-oxo-2,3,4,4b,5,6,8,8a,10,10a-decahydrophenanthrene-1-carboxylic acid methyl ester IUPAC Name: methyl (1S,4aR,4bS,7E,8R,8aS,10R,10aR)-7-[2-(2-dimethylaminoethyloxy)-2-oxoethylidene]-10-hydroxy-1,4a,8-trimethyl-9-oxo-2,3,4,4b,5,6,8,8a,10,10a-decahydrophenanthrene-1-carboxylate Traditional Name: (1S,4aR,4bS,7E,8R,8aS,10R,10aR)-7-[2-(2-dimethylaminoethyloxy)-2-keto-ethylidene]-10-hydroxy-9-keto-1,4a,8-trimethyl-2,3,4,4b,5,6,8,8a,10,10a-decahydrophenanthrene-1-carboxylic acid methyl ester Formula: C25H39NO6 MolecularWeight: 449.58026

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Descriptors Computed from Structure

Canonical SMILES:

CC1C2C(CCC1=CC(=O)OCCN(C)C)C3(CCCC(C3C(C2=O)O)(C)C(=O)OC)C

Isomeric SMILES

C[C@@H]\1[C@H]2[C@H](CC/C1=C\C(=O)OCCN(C)C)[C@]3(CCC[C@]([C@@H]3[C@H](C2=O)O)(C)C(=O)OC)C

InChI

InChI=1S/C25H39NO6/c1-15-16(14-18(27)32-13-12-26(4)5)8-9-17-19(15)20(28)21(29)22-24(17,2)10-7-11-25(22,3)23(30)31-6/h14-15,17,19,21-22,29H,7-13H2,1-6H3/b16-14+/t15-,17-,19-,21-,22+,24+,25-/m0/s1