[(3aR,6Z,9S,9aR,10R,11aS)-9-(methoxymethyl)-9a,11a-dimethyl-5-oxidanyl-1,4,7-tris(oxidanylidene)-6-[(prop-2-ynylamino)methylidene]-2,3,3a,9,10,11-hexahydroindeno[4,5-h]isochromen-10-yl] ethanoate

Systemtic Name: [(3aR,6Z,9S,9aR,10R,11aS)-9-(methoxymethyl)-9a,11a-dimethyl-5-oxidanyl-1,4,7-tris(oxidanylidene)-6-[(prop-2-ynylamino)methylidene]-2,3,3a,9,10,11-hexahydroindeno[4,5-h]isochromen-10-yl] ethanoate Openeye Name: [(3aR,6Z,9S,9aR,10R,11aS)-5-hydroxy-9-(methoxymethyl)-9a,11a-dimethyl-1,4,7-trioxo-6-[(prop-2-ynylamino)methylene]-2,3,3a,9,10,11-hexahydroindeno[4,5-h]isochromen-10-yl] acetate CAS Name: acetic acid [(3aR,6Z,9S,9aR,10R,11aS)-5-hydroxy-9-(methoxymethyl)-9a,11a-dimethyl-1,4,7-trioxo-6-[(prop-2-ynylamino)methylidene]-2,3,3a,9,10,11-hexahydroindeno[4,5-h][2]benzopyran-10-yl] ester IUPAC Name: [(3aR,6Z,9S,9aR,10R,11aS)-5-hydroxy-9-(methoxymethyl)-9a,11a-dimethyl-1,4,7-trioxo-6-[(prop-2-ynylamino)methylidene]-2,3,3a,9,10,11-hexahydroindeno[4,5-h]isochromen-10-yl] acetate Traditional Name: acetic acid [(3aR,6Z,9S,9aR,10R,11aS)-5-hydroxy-1,4,7-triketo-9-(methoxymethyl)-9a,11a-dimethyl-6-[(propargylamino)methylene]-2,3,3a,9,10,11-hexahydroinden[4,5-h]isochromen-10-yl] ester Formula: C26H29NO8 MolecularWeight: 483.51036

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)OC1CC2(C(CCC2=O)C3=C1C4(C(OC(=O)C(=CNCC#C)C4=C(C3=O)O)COC)C)C

Isomeric SMILES

CC(=O)O[C@@H]1C[C@]2([C@@H](CCC2=O)C3=C1[C@]4([C@H](OC(=O)/C(=C\NCC#C)/C4=C(C3=O)O)COC)C)C

InChI

InChI=1S/C26H29NO8/c1-6-9-27-11-14-20-23(31)22(30)19-15-7-8-17(29)25(15,3)10-16(34-13(2)28)21(19)26(20,4)18(12-33-5)35-24(14)32/h1,11,15-16,18,27,31H,7-10,12H2,2-5H3/b14-11-/t15-,16+,18+,25-,26-/m0/s1