(5R)-8-[(1E,3E)-2,6-dimethylhepta-1,3,5-trienyl]-5-[(1S)-2-[(1S,2S,5Z,6R)-1-(hydroxymethyl)-2-methyl-2-oxidanyl-5-(1-oxidanylpropan-2-ylidene)-6-(3-oxidanylpropyl)cyclohexyl]-1-oxidanyl-ethyl]-6-methyl-2-phenyl-5,8-dihydro-[1,2,4]triazolo[1,2-a]pyridazine-1,3-dione

Systemtic Name: (5R)-8-[(1E,3E)-2,6-dimethylhepta-1,3,5-trienyl]-5-[(1S)-2-[(1S,2S,5Z,6R)-1-(hydroxymethyl)-2-methyl-2-oxidanyl-5-(1-oxidanylpropan-2-ylidene)-6-(3-oxidanylpropyl)cyclohexyl]-1-oxidanyl-ethyl]-6-methyl-2-phenyl-5,8-dihydro-[1,2,4]triazolo[1,2-a]pyridazine-1,3-dione Openeye Name: (5R)-8-[(1E,3E)-2,6-dimethylhepta-1,3,5-trienyl]-5-[(1S)-1-hydroxy-2-[(1S,2S,5Z,6R)-2-hydroxy-1-(hydroxymethyl)-5-(2-hydroxy-1-methyl-ethylidene)-6-(3-hydroxypropyl)-2-methyl-cyclohexyl]ethyl]-6-methyl-2-phenyl-5,8-dihydro-[1,2,4]triazolo[1,2-a]pyridazine-1,3-dione CAS Name: (5R)-8-[(1E,3E)-2,6-dimethylhepta-1,3,5-trienyl]-5-[(1S)-1-hydroxy-2-[(1S,2S,5Z,6R)-2-hydroxy-1-(hydroxymethyl)-5-(1-hydroxypropan-2-ylidene)-6-(3-hydroxypropyl)-2-methylcyclohexyl]ethyl]-6-methyl-2-phenyl-5,8-dihydro-[1,2,4]triazolo[1,2-a]pyridazine-1,3-dione IUPAC Name: (5R)-8-[(1E,3E)-2,6-dimethylhepta-1,3,5-trienyl]-5-[(1S)-1-hydroxy-2-[(1S,2S,5Z,6R)-2-hydroxy-1-(hydroxymethyl)-5-(1-hydroxypropan-2-ylidene)-6-(3-hydroxypropyl)-2-methylcyclohexyl]ethyl]-6-methyl-2-phenyl-5,8-dihydro-[1,2,4]triazolo[1,2-a]pyridazine-1,3-dione Traditional Name: (5R)-8-[(1E,3E)-2,6-dimethylhepta-1,3,5-trienyl]-5-[(1S)-1-hydroxy-2-[(1S,2S,5Z,6R)-2-hydroxy-5-(2-hydroxy-1-methyl-ethylidene)-6-(3-hydroxypropyl)-2-methyl-1-methylol-cyclohexyl]ethyl]-6-methyl-2-phenyl-5,8-dihydro-[1,2,4]triazolo[1,2-a]pyridazine-1,3-quinone Formula: C38H53N3O7 MolecularWeight: 663.84332

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(N2C(=O)N(C(=O)N2C1C(CC3(C(C(=C(C)CO)CCC3(C)O)CCCO)CO)O)C4=CC=CC=C4)C=C(C)C=CC=C(C)C

Isomeric SMILES

CC1=CC(N2C(=O)N(C(=O)N2[C@H]1[C@H](C[C@]3([C@@H](/C(=C(/C)\CO)/CC[C@]3(C)O)CCCO)CO)O)C4=CC=CC=C4)/C=C(\C)/C=C/C=C(C)C

InChI

InChI=1S/C38H53N3O7/c1-25(2)12-10-13-26(3)20-30-21-27(4)34(41-36(47)39(35(46)40(30)41)29-14-8-7-9-15-29)33(45)22-38(24-44)32(16-11-19-42)31(28(5)23-43)17-18-37(38,6)48/h7-10,12-15,20-21,30,32-34,42-45,48H,11,16-19,22-24H2,1-6H3/b13-10+,26-20+,31-28-/t30?,32-,33+,34-,37+,38-/m1/s1