methyl (1R,2S,4aR,4bS,7E,8R,8aS,9S,10aR)-2-acetyloxy-1,4a,8-trimethyl-7-[2-[2-(methylamino)ethoxy]-2-oxidanylidene-ethylidene]-9-oxidanyl-3,4,4b,5,6,8,8a,9,10,10a-decahydro-2H-phenanthrene-1-carboxylate

Systemtic Name: methyl (1R,2S,4aR,4bS,7E,8R,8aS,9S,10aR)-2-acetyloxy-1,4a,8-trimethyl-7-[2-[2-(methylamino)ethoxy]-2-oxidanylidene-ethylidene]-9-oxidanyl-3,4,4b,5,6,8,8a,9,10,10a-decahydro-2H-phenanthrene-1-carboxylate Openeye Name: methyl (1R,2S,4aR,4bS,7E,8R,8aS,9S,10aR)-2-acetoxy-9-hydroxy-1,4a,8-trimethyl-7-[2-[2-(methylamino)ethoxy]-2-oxo-ethylidene]-3,4,4b,5,6,8,8a,9,10,10a-decahydro-2H-phenanthrene-1-carboxylate CAS Name: (1R,2S,4aR,4bS,7E,8R,8aS,9S,10aR)-2-acetyloxy-9-hydroxy-1,4a,8-trimethyl-7-[2-[2-(methylamino)ethoxy]-2-oxoethylidene]-3,4,4b,5,6,8,8a,9,10,10a-decahydro-2H-phenanthrene-1-carboxylic acid methyl ester IUPAC Name: methyl (1R,2S,4aR,4bS,7E,8R,8aS,9S,10aR)-2-acetyloxy-9-hydroxy-1,4a,8-trimethyl-7-[2-[2-(methylamino)ethoxy]-2-oxoethylidene]-3,4,4b,5,6,8,8a,9,10,10a-decahydro-2H-phenanthrene-1-carboxylate Traditional Name: (1R,2S,4aR,4bS,7E,8R,8aS,9S,10aR)-2-acetoxy-9-hydroxy-7-[2-keto-2-[2-(methylamino)ethoxy]ethylidene]-1,4a,8-trimethyl-3,4,4b,5,6,8,8a,9,10,10a-decahydro-2H-phenanthrene-1-carboxylic acid methyl ester Formula: C26H41NO7 MolecularWeight: 479.60624

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Descriptors Computed from Structure

Canonical SMILES:

CC1C2C(CCC1=CC(=O)OCCNC)C3(CCC(C(C3CC2O)(C)C(=O)OC)OC(=O)C)C

Isomeric SMILES

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

InChI

InChI=1S/C26H41NO7/c1-15-17(13-22(30)33-12-11-27-5)7-8-18-23(15)19(29)14-20-25(18,3)10-9-21(34-16(2)28)26(20,4)24(31)32-6/h13,15,18-21,23,27,29H,7-12,14H2,1-6H3/b17-13+/t15-,18-,19-,20+,21-,23-,25+,26+/m0/s1