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

Systemtic Name: methyl (1R,2S,4aR,4bS,7E,8R,8aS,9R,10aR)-1,4a,8-trimethyl-7-[2-[2-(methylamino)ethoxy]-2-oxidanylidene-ethylidene]-2,9-bis(oxidanyl)-10-oxidanylidene-2,3,4,4b,5,6,8,8a,9,10a-decahydrophenanthrene-1-carboxylate Openeye Name: methyl (1R,2S,4aR,4bS,7E,8R,8aS,9R,10aR)-2,9-dihydroxy-1,4a,8-trimethyl-7-[2-[2-(methylamino)ethoxy]-2-oxo-ethylidene]-10-oxo-2,3,4,4b,5,6,8,8a,9,10a-decahydrophenanthrene-1-carboxylate CAS Name: (1R,2S,4aR,4bS,7E,8R,8aS,9R,10aR)-2,9-dihydroxy-1,4a,8-trimethyl-7-[2-[2-(methylamino)ethoxy]-2-oxoethylidene]-10-oxo-2,3,4,4b,5,6,8,8a,9,10a-decahydrophenanthrene-1-carboxylic acid methyl ester IUPAC Name: methyl (1R,2S,4aR,4bS,7E,8R,8aS,9R,10aR)-2,9-dihydroxy-1,4a,8-trimethyl-7-[2-[2-(methylamino)ethoxy]-2-oxoethylidene]-10-oxo-2,3,4,4b,5,6,8,8a,9,10a-decahydrophenanthrene-1-carboxylate Traditional Name: (1R,2S,4aR,4bS,7E,8R,8aS,9R,10aR)-2,9-dihydroxy-10-keto-7-[2-keto-2-[2-(methylamino)ethoxy]ethylidene]-1,4a,8-trimethyl-2,3,4,4b,5,6,8,8a,9,10a-decahydrophenanthrene-1-carboxylic acid methyl ester Formula: C24H37NO7 MolecularWeight: 451.55308

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Descriptors Computed from Structure

Canonical SMILES:

CC1C2C(CCC1=CC(=O)OCCNC)C3(CCC(C(C3C(=O)C2O)(C)C(=O)OC)O)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(=O)[C@@H]2O)(C)C(=O)OC)O)C

InChI

InChI=1S/C24H37NO7/c1-13-14(12-17(27)32-11-10-25-4)6-7-15-18(13)19(28)20(29)21-23(15,2)9-8-16(26)24(21,3)22(30)31-5/h12-13,15-16,18-19,21,25-26,28H,6-11H2,1-5H3/b14-12+/t13-,15-,16-,18-,19+,21+,23+,24-/m0/s1