2,2-DIMETHYL-PROPIONIC ACID 5S-METHYL-5-[7R-METHYL-1-(1R,4R,5-TRIMETHYL-HEX-2-ENYL)-OCTAHYDRO-INDEN-4-YLIDENEMETHYL]-1,3-DIOXO-2-PHENYL-2,3,5,6,7,8,9,10-OCTAHYDRO-1H-PYRAZOLO[1,2-B]PHTHALAZIN-7S-YL ESTER

pro_cas
pro_cdbregno
CCD01008446
pro_formula
C43 H60 N2 O4
pro_molWeight
668.957

basic_info

Product_Name: 2,2-DIMETHYL-PROPIONIC ACID 5S-METHYL-5-[7R-METHYL-1-(1R,4R,5-TRIMETHYL-HEX-2-ENYL)-OCTAHYDRO-INDEN-4-YLIDENEMETHYL]-1,3-DIOXO-2-PHENYL-2,3,5,6,7,8,9,10-OCTAHYDRO-1H-PYRAZOLO[1,2-B]PHTHALAZIN-7S-YL ESTER
EnglishSynonyms: 2,2-DIMETHYL-PROPIONIC ACID 5S-METHYL-5-[7R-METHYL-1-(1R,4R,5-TRIMETHYL-HEX-2-ENYL)-OCTAHYDRO-INDEN-4-YLIDENEMETHYL]-1,3-DIOXO-2-PHENYL-2,3,5,6,7,8,9,10-OCTAHYDRO-1H-PYRAZOLO[1,2-B]PHTHALAZIN-7S-YL ESTER
pro_mdlNumber: MFCD11100868
pro_acceptors: 6
pro_donors: 0
pro_smile: CC(C)[C@@H](C)/C=C/[C@@H](C)C1CCC\2[C@@]1(CCC/C2=C\[C@]3(C4=C(CC[C@@H](C4)OC(=O)C(C)(C)C)CN5N3C(=O)C(C5=O)c6ccccc6)C)C
InChi: InChI=1S/C43H60N2O4/c1-27(2)28(3)17-18-29(4)34-21-22-35-31(16-13-23-42(34,35)8)25-43(9)36-24-33(49-40(48)41(5,6)7)20-19-32(36)26-44-38(46)37(39(47)45(43)44)30-14-11-10-12-15-30/h10-12,14-15,17-18,25,27-29,33-35,37H,13,16,19-24,26H2,1-9H3/b18-17+,31-25+/t28-,29+,33-,34?,35?,37?,42+,43-/m0/s1
InChiKey: InChIKey=LEMOATUKGRBMRI-PZFOYKJHSA-N

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