(4aS,8aS,10aR)-8a-(aminomethyl)-1,1,4a-trimethyl-3,4,6,7,8,9,10,10a-octahydrophenanthren-2-one;bis((4aR,8aR,10aR)-8a-(aminomethyl)-3-isocyano-1,1,4a-trimethyl-8,9,10,10a-tetrahydro-7H-phenanthrene-2,6-dione);(4aS,8aS,10aR)-1,1,4a-trimethyl-2-oxo-3,4,6,7,8,9,10,10a-octahydrophenanthrene-8a-carbonitrile;(4'aS,8'aS,10'aR)-1',1',4'a-trimethylspiro[1,3-dioxolane-2,2'-3,4,6,7,8,9,10,10a-octahydrophenanthrene]-8'a-carbonitrile;benzene;tert-butyl N-[[(4aS,6aR,11aS)-7,7,11a-trimethyl-3,4,5,6,6a,11-hexahydro-2H-naphtho[1,2-f][1,2]benzoxazol-4a-yl]methyl]carbamate;tert-butyl N-[[(4aR,6aR,11aS)-7,7,11a-trimethyl-2-oxo-3,4,5,6,6a,11-hexahydronaphtho[1,2-f][1,2]benzoxazol-4a-yl]methyl]carbamate;tert-butyl N-[[(4aS,8aS,10aR)-1,1,4a-trimethyl-2-oxo-3,4,6,7,8,9,10,10a-octahydrophenanthren-8a-yl]methyl]carbamate;tert-butyl N-[[(3Z,4aS,8aS,10aR)-3-(hydroxymethylidene)-1,1,4a-trimethyl-2-oxo-6,7,8,9,10,10a-hexahydro-4H-phenanthren-8a-yl]methyl]carbamate;tert-butyl N-[[(4aR,8aR,10aR)-3-isocyano-1,1,4a-trimethyl-2,6-dioxo-8,9,10,10a-tetrahydro-7H-phenanthren-8a-yl]methyl]carbamate;tert-butyl (2-methylpropan-2-yl)oxycarbonyl carbonate;dichloromethane;ethane;formic acid;oxolane;hydrochloride

C245H362Cl3N15O34 — CID 158908872

IUPAC(4aS,8aS,10aR)-8a-(aminomethyl)-1,1,4a-trimethyl-3,4,6,7,8,9,10,10a-octahydrophenanthren-2-one;bis((4aR,8aR,10aR)-8a-(aminomethyl)-3-isocyano-1,1,4a-trimethyl-8,9,10,10a-tetrahydro-7H-phenanthrene-2,6-dione);(4aS,8aS,10aR)-1,1,4a-trimethyl-2-oxo-3,4,6,7,8,9,10,10a-octahydrophenanthrene-8a-carbonitrile;(4'aS,8'aS,10'aR)-1',1',4'a-trimethylspiro[1,3-dioxolane-2,2'-3,4,6,7,8,9,10,10a-octahydrophenanthrene]-8'a-carbonitrile;benzene;tert-butyl N-[[(4aS,6aR,11aS)-7,7,11a-trimethyl-3,4,5,6,6a,11-hexahydro-2H-naphtho[1,2-f][1,2]benzoxazol-4a-yl]methyl]carbamate;tert-butyl N-[[(4aR,6aR,11aS)-7,7,11a-trimethyl-2-oxo-3,4,5,6,6a,11-hexahydronaphtho[1,2-f][1,2]benzoxazol-4a-yl]methyl]carbamate;tert-butyl N-[[(4aS,8aS,10aR)-1,1,4a-trimethyl-2-oxo-3,4,6,7,8,9,10,10a-octahydrophenanthren-8a-yl]methyl]carbamate;tert-butyl N-[[(3Z,4aS,8aS,10aR)-3-(hydroxymethylidene)-1,1,4a-trimethyl-2-oxo-6,7,8,9,10,10a-hexahydro-4H-phenanthren-8a-yl]methyl]carbamate;tert-butyl N-[[(4aR,8aR,10aR)-3-isocyano-1,1,4a-trimethyl-2,6-dioxo-8,9,10,10a-tetrahydro-7H-phenanthren-8a-yl]methyl]carbamate;tert-butyl (2-methylpropan-2-yl)oxycarbonyl carbonate;dichloromethane;ethane;formic acid;oxolane;hydrochloride
SMILESC1CCOC1.CC.CC.CC(C)(C)OC(=O)NC[C@]12CCC(=O)C=C1[C@@]1(C)Cc3cnoc3C(C)(C)[C@@H]1CC2.CC(C)(C)OC(=O)NC[C@]12CCCC=C1[C@@]1(C)C/C(=C/O)C(=O)C(C)(C)[C@@H]1CC2.CC(C)(C)OC(=O)NC[C@]12CCCC=C1[C@@]1(C)CCC(=O)C(C)(C)[C@@H]1CC2.CC(C)(C)OC(=O)NC[C@]12CCCC=C1[C@@]1(C)Cc3cnoc3C(C)(C)[C@@H]1CC2.CC(C)(C)OC(=O)OC(=O)OC(C)(C)C.CC1(C)C(=O)CC[C@]2(C)C3=CCCC[C@]3(C#N)CC[C@@H]12.CC1(C)C(=O)CC[C@]2(C)C3=CCCC[C@]3(CN)CC[C@@H]12.CC1(C)[C@@H]2CC[C@@]3(C#N)CCCC=C3[C@@]2(C)CCC12OCCO2.Cl.ClCCl.O=CO.[C-]#[N+]C1=C[C@]2(C)C3=CC(=O)CC[C@]3(CN)CC[C@H]2C(C)(C)C1=O.[C-]#[N+]C1=C[C@]2(C)C3=CC(=O)CC[C@]3(CN)CC[C@H]2C(C)(C)C1=O.[C-]#[N+]C1=C[C@]2(C)C3=CC(=O)CC[C@]3(CNC(=O)OC(C)(C)C)CC[C@H]2C(C)(C)C1=O.c1ccccc1.c1ccccc1
InChIInChI=1S/C24H34N2O4.C24H32N2O4.C24H36N2O3.C24H37NO4.C23H37NO3.C20H29NO2.2C19H24N2O2.C18H29NO.C18H25NO.C10H18O5.2C6H6.C4H8O.2C2H6.CH2Cl2.CH2O2.ClH/c1-21(2,3)29-20(28)25-14-24-9-7-16(27)11-18(24)23(6)12-15-13-26-30-19(15)22(4,5)17(23)8-10-24;1-21(2,3)30-20(29)26-14-24-10-8-15(27)12-18(24)23(6)13-16(25-7)19(28)22(4,5)17(23)9-11-24;1-21(2,3)28-20(27)25-15-24-11-8-7-9-18(24)23(6)13-16-14-26-29-19(16)22(4,5)17(23)10-12-24;1-21(2,3)29-20(28)25-15-24-11-8-7-9-18(24)23(6)13-16(14-26)19(27)22(4,5)17(23)10-12-24;1-20(2,3)27-19(26)24-15-23-12-8-7-9-17(23)22(6)13-11-18(25)21(4,5)16(22)10-14-23;1-17(2)15-7-9-19(14-21)8-5-4-6-16(19)18(15,3)10-11-20(17)22-12-13-23-20;2*1-17(2)14-6-8-19(11-20)7-5-12(22)9-15(19)18(14,3)10-13(21-4)16(17)23;2*1-16(2)13-7-11-18(12-19)9-5-4-6-14(18)17(13,3)10-8-15(16)20;1-9(2,3)14-7(11)13-8(12)15-10(4,5)6;2*1-2-4-6-5-3-1;1-2-4-5-3-1;2*1-2;2*2-1-3;/h11,13,17H,7-10,12,14H2,1-6H3,(H,25,28);12-13,17H,8-11,14H2,1-6H3,(H,26,29);9,14,17H,7-8,10-13,15H2,1-6H3,(H,25,27);9,14,17,26H,7-8,10-13,15H2,1-6H3,(H,25,28);9,16H,7-8,10-15H2,1-6H3,(H,24,26);6,15H,4-5,7-13H2,1-3H3;2*9-10,14H,5-8,11,20H2,1-3H3;6,13H,4-5,7-12,19H2,1-3H3;6,13H,4-5,7-11H2,1-3H3;1-6H3;2*1-6H;1-4H2;2*1-2H3;1H2;1H,(H,2,3);1H/b;;;16-14-;;;;;;;;;;;;;;;/t4*17-,23-,24+;16-,22-,23+;15-,18-,19+;2*14-,18-,19+;2*13-,17-,18+;;;;;;;;;/m0000000000........./s1
InChIKeyKDYJNIIPCOFHNN-RQDHLMLJSA-N
MW4168.02 g/mol
LogP55.35
Rot. Bonds13

About (4aS,8aS,10aR)-8a-(aminomethyl)-1,1,4a-trimethyl-3,4,6,7,8,9,10,10a-octahydrophenanthren-2-one;bis((4aR,8aR,10aR)-8a-(aminomethyl)-3-isocyano-1,1,4a-trimethyl-8,9,10,10a-tetrahydro-7H-phenanthrene-2,6-dione);(4aS,8aS,10aR)-1,1,4a-trimethyl-2-oxo-3,4,6,7,8,9,10,10a-octahydrophenanthrene-8a-carbonitrile;(4'aS,8'aS,10'aR)-1',1',4'a-trimethylspiro[1,3-dioxolane-2,2'-3,4,6,7,8,9,10,10a-octahydrophenanthrene]-8'a-carbonitrile;benzene;tert-butyl N-[[(4aS,6aR,11aS)-7,7,11a-trimethyl-3,4,5,6,6a,11-hexahydro-2H-naphtho[1,2-f][1,2]benzoxazol-4a-yl]methyl]carbamate;tert-butyl N-[[(4aR,6aR,11aS)-7,7,11a-trimethyl-2-oxo-3,4,5,6,6a,11-hexahydronaphtho[1,2-f][1,2]benzoxazol-4a-yl]methyl]carbamate;tert-butyl N-[[(4aS,8aS,10aR)-1,1,4a-trimethyl-2-oxo-3,4,6,7,8,9,10,10a-octahydrophenanthren-8a-yl]methyl]carbamate;tert-butyl N-[[(3Z,4aS,8aS,10aR)-3-(hydroxymethylidene)-1,1,4a-trimethyl-2-oxo-6,7,8,9,10,10a-hexahydro-4H-phenanthren-8a-yl]methyl]carbamate;tert-butyl N-[[(4aR,8aR,10aR)-3-isocyano-1,1,4a-trimethyl-2,6-dioxo-8,9,10,10a-tetrahydro-7H-phenanthren-8a-yl]methyl]carbamate;tert-butyl (2-methylpropan-2-yl)oxycarbonyl carbonate;dichloromethane;ethane;formic acid;oxolane;hydrochloride

(4aS,8aS,10aR)-8a-(aminomethyl)-1,1,4a-trimethyl-3,4,6,7,8,9,10,10a-octahydrophenanthren-2-one;bis((4aR,8aR,10aR)-8a-(aminomethyl)-3-isocyano-1,1,4a-trimethyl-8,9,10,10a-tetrahydro-7H-phenanthrene-2,6-dione);(4aS,8aS,10aR)-1,1,4a-trimethyl-2-oxo-3,4,6,7,8,9,10,10a-octahydrophenanthrene-8a-carbonitrile;(4'aS,8'aS,10'aR)-1',1',4'a-trimethylspiro[1,3-dioxolane-2,2'-3,4,6,7,8,9,10,10a-octahydrophenanthrene]-8'a-carbonitrile;benzene;tert-butyl N-[[(4aS,6aR,11aS)-7,7,11a-trimethyl-3,4,5,6,6a,11-hexahydro-2H-naphtho[1,2-f][1,2]benzoxazol-4a-yl]methyl]carbamate;tert-butyl N-[[(4aR,6aR,11aS)-7,7,11a-trimethyl-2-oxo-3,4,5,6,6a,11-hexahydronaphtho[1,2-f][1,2]benzoxazol-4a-yl]methyl]carbamate;tert-butyl N-[[(4aS,8aS,10aR)-1,1,4a-trimethyl-2-oxo-3,4,6,7,8,9,10,10a-octahydrophenanthren-8a-yl]methyl]carbamate;tert-butyl N-[[(3Z,4aS,8aS,10aR)-3-(hydroxymethylidene)-1,1,4a-trimethyl-2-oxo-6,7,8,9,10,10a-hexahydro-4H-phenanthren-8a-yl]methyl]carbamate;tert-butyl N-[[(4aR,8aR,10aR)-3-isocyano-1,1,4a-trimethyl-2,6-dioxo-8,9,10,10a-tetrahydro-7H-phenanthren-8a-yl]methyl]carbamate;tert-butyl (2-methylpropan-2-yl)oxycarbonyl carbonate;dichloromethane;ethane;formic acid;oxolane;hydrochloride (PubChem CID 158908872) has the molecular formula C245H362Cl3N15O34 and a molecular weight of 4168.02 g/mol. Its IUPAC name is (4aS,8aS,10aR)-8a-(aminomethyl)-1,1,4a-trimethyl-3,4,6,7,8,9,10,10a-octahydrophenanthren-2-one;bis((4aR,8aR,10aR)-8a-(aminomethyl)-3-isocyano-1,1,4a-trimethyl-8,9,10,10a-tetrahydro-7H-phenanthrene-2,6-dione);(4aS,8aS,10aR)-1,1,4a-trimethyl-2-oxo-3,4,6,7,8,9,10,10a-octahydrophenanthrene-8a-carbonitrile;(4'aS,8'aS,10'aR)-1',1',4'a-trimethylspiro[1,3-dioxolane-2,2'-3,4,6,7,8,9,10,10a-octahydrophenanthrene]-8'a-carbonitrile;benzene;tert-butyl N-[[(4aS,6aR,11aS)-7,7,11a-trimethyl-3,4,5,6,6a,11-hexahydro-2H-naphtho[1,2-f][1,2]benzoxazol-4a-yl]methyl]carbamate;tert-butyl N-[[(4aR,6aR,11aS)-7,7,11a-trimethyl-2-oxo-3,4,5,6,6a,11-hexahydronaphtho[1,2-f][1,2]benzoxazol-4a-yl]methyl]carbamate;tert-butyl N-[[(4aS,8aS,10aR)-1,1,4a-trimethyl-2-oxo-3,4,6,7,8,9,10,10a-octahydrophenanthren-8a-yl]methyl]carbamate;tert-butyl N-[[(3Z,4aS,8aS,10aR)-3-(hydroxymethylidene)-1,1,4a-trimethyl-2-oxo-6,7,8,9,10,10a-hexahydro-4H-phenanthren-8a-yl]methyl]carbamate;tert-butyl N-[[(4aR,8aR,10aR)-3-isocyano-1,1,4a-trimethyl-2,6-dioxo-8,9,10,10a-tetrahydro-7H-phenanthren-8a-yl]methyl]carbamate;tert-butyl (2-methylpropan-2-yl)oxycarbonyl carbonate;dichloromethane;ethane;formic acid;oxolane;hydrochloride.

Molecular Properties

Compound Name(4aS,8aS,10aR)-8a-(aminomethyl)-1,1,4a-trimethyl-3,4,6,7,8,9,10,10a-octahydrophenanthren-2-one;bis((4aR,8aR,10aR)-8a-(aminomethyl)-3-isocyano-1,1,4a-trimethyl-8,9,10,10a-tetrahydro-7H-phenanthrene-2,6-dione);(4aS,8aS,10aR)-1,1,4a-trimethyl-2-oxo-3,4,6,7,8,9,10,10a-octahydrophenanthrene-8a-carbonitrile;(4'aS,8'aS,10'aR)-1',1',4'a-trimethylspiro[1,3-dioxolane-2,2'-3,4,6,7,8,9,10,10a-octahydrophenanthrene]-8'a-carbonitrile;benzene;tert-butyl N-[[(4aS,6aR,11aS)-7,7,11a-trimethyl-3,4,5,6,6a,11-hexahydro-2H-naphtho[1,2-f][1,2]benzoxazol-4a-yl]methyl]carbamate;tert-butyl N-[[(4aR,6aR,11aS)-7,7,11a-trimethyl-2-oxo-3,4,5,6,6a,11-hexahydronaphtho[1,2-f][1,2]benzoxazol-4a-yl]methyl]carbamate;tert-butyl N-[[(4aS,8aS,10aR)-1,1,4a-trimethyl-2-oxo-3,4,6,7,8,9,10,10a-octahydrophenanthren-8a-yl]methyl]carbamate;tert-butyl N-[[(3Z,4aS,8aS,10aR)-3-(hydroxymethylidene)-1,1,4a-trimethyl-2-oxo-6,7,8,9,10,10a-hexahydro-4H-phenanthren-8a-yl]methyl]carbamate;tert-butyl N-[[(4aR,8aR,10aR)-3-isocyano-1,1,4a-trimethyl-2,6-dioxo-8,9,10,10a-tetrahydro-7H-phenanthren-8a-yl]methyl]carbamate;tert-butyl (2-methylpropan-2-yl)oxycarbonyl carbonate;dichloromethane;ethane;formic acid;oxolane;hydrochloride
PubChem CID158908872
Molecular FormulaC245H362Cl3N15O34
Molecular Weight4168.02 g/mol
Exact Mass4163.61
IUPAC Name(4aS,8aS,10aR)-8a-(aminomethyl)-1,1,4a-trimethyl-3,4,6,7,8,9,10,10a-octahydrophenanthren-2-one;bis((4aR,8aR,10aR)-8a-(aminomethyl)-3-isocyano-1,1,4a-trimethyl-8,9,10,10a-tetrahydro-7H-phenanthrene-2,6-dione);(4aS,8aS,10aR)-1,1,4a-trimethyl-2-oxo-3,4,6,7,8,9,10,10a-octahydrophenanthrene-8a-carbonitrile;(4'aS,8'aS,10'aR)-1',1',4'a-trimethylspiro[1,3-dioxolane-2,2'-3,4,6,7,8,9,10,10a-octahydrophenanthrene]-8'a-carbonitrile;benzene;tert-butyl N-[[(4aS,6aR,11aS)-7,7,11a-trimethyl-3,4,5,6,6a,11-hexahydro-2H-naphtho[1,2-f][1,2]benzoxazol-4a-yl]methyl]carbamate;tert-butyl N-[[(4aR,6aR,11aS)-7,7,11a-trimethyl-2-oxo-3,4,5,6,6a,11-hexahydronaphtho[1,2-f][1,2]benzoxazol-4a-yl]methyl]carbamate;tert-butyl N-[[(4aS,8aS,10aR)-1,1,4a-trimethyl-2-oxo-3,4,6,7,8,9,10,10a-octahydrophenanthren-8a-yl]methyl]carbamate;tert-butyl N-[[(3Z,4aS,8aS,10aR)-3-(hydroxymethylidene)-1,1,4a-trimethyl-2-oxo-6,7,8,9,10,10a-hexahydro-4H-phenanthren-8a-yl]methyl]carbamate;tert-butyl N-[[(4aR,8aR,10aR)-3-isocyano-1,1,4a-trimethyl-2,6-dioxo-8,9,10,10a-tetrahydro-7H-phenanthren-8a-yl]methyl]carbamate;tert-butyl (2-methylpropan-2-yl)oxycarbonyl carbonate;dichloromethane;ethane;formic acid;oxolane;hydrochloride
SMILESC1CCOC1.CC.CC.CC(C)(C)OC(=O)NC[C@]12CCC(=O)C=C1[C@@]1(C)Cc3cnoc3C(C)(C)[C@@H]1CC2.CC(C)(C)OC(=O)NC[C@]12CCCC=C1[C@@]1(C)C/C(=C/O)C(=O)C(C)(C)[C@@H]1CC2.CC(C)(C)OC(=O)NC[C@]12CCCC=C1[C@@]1(C)CCC(=O)C(C)(C)[C@@H]1CC2.CC(C)(C)OC(=O)NC[C@]12CCCC=C1[C@@]1(C)Cc3cnoc3C(C)(C)[C@@H]1CC2.CC(C)(C)OC(=O)OC(=O)OC(C)(C)C.CC1(C)C(=O)CC[C@]2(C)C3=CCCC[C@]3(C#N)CC[C@@H]12.CC1(C)C(=O)CC[C@]2(C)C3=CCCC[C@]3(CN)CC[C@@H]12.CC1(C)[C@@H]2CC[C@@]3(C#N)CCCC=C3[C@@]2(C)CCC12OCCO2.Cl.ClCCl.O=CO.[C-]#[N+]C1=C[C@]2(C)C3=CC(=O)CC[C@]3(CN)CC[C@H]2C(C)(C)C1=O.[C-]#[N+]C1=C[C@]2(C)C3=CC(=O)CC[C@]3(CN)CC[C@H]2C(C)(C)C1=O.[C-]#[N+]C1=C[C@]2(C)C3=CC(=O)CC[C@]3(CNC(=O)OC(C)(C)C)CC[C@H]2C(C)(C)C1=O.c1ccccc1.c1ccccc1
InChIInChI=1S/C24H34N2O4.C24H32N2O4.C24H36N2O3.C24H37NO4.C23H37NO3.C20H29NO2.2C19H24N2O2.C18H29NO.C18H25NO.C10H18O5.2C6H6.C4H8O.2C2H6.CH2Cl2.CH2O2.ClH/c1-21(2,3)29-20(28)25-14-24-9-7-16(27)11-18(24)23(6)12-15-13-26-30-19(15)22(4,5)17(23)8-10-24;1-21(2,3)30-20(29)26-14-24-10-8-15(27)12-18(24)23(6)13-16(25-7)19(28)22(4,5)17(23)9-11-24;1-21(2,3)28-20(27)25-15-24-11-8-7-9-18(24)23(6)13-16-14-26-29-19(16)22(4,5)17(23)10-12-24;1-21(2,3)29-20(28)25-15-24-11-8-7-9-18(24)23(6)13-16(14-26)19(27)22(4,5)17(23)10-12-24;1-20(2,3)27-19(26)24-15-23-12-8-7-9-17(23)22(6)13-11-18(25)21(4,5)16(22)10-14-23;1-17(2)15-7-9-19(14-21)8-5-4-6-16(19)18(15,3)10-11-20(17)22-12-13-23-20;2*1-17(2)14-6-8-19(11-20)7-5-12(22)9-15(19)18(14,3)10-13(21-4)16(17)23;2*1-16(2)13-7-11-18(12-19)9-5-4-6-14(18)17(13,3)10-8-15(16)20;1-9(2,3)14-7(11)13-8(12)15-10(4,5)6;2*1-2-4-6-5-3-1;1-2-4-5-3-1;2*1-2;2*2-1-3;/h11,13,17H,7-10,12,14H2,1-6H3,(H,25,28);12-13,17H,8-11,14H2,1-6H3,(H,26,29);9,14,17H,7-8,10-13,15H2,1-6H3,(H,25,27);9,14,17,26H,7-8,10-13,15H2,1-6H3,(H,25,28);9,16H,7-8,10-15H2,1-6H3,(H,24,26);6,15H,4-5,7-13H2,1-3H3;2*9-10,14H,5-8,11,20H2,1-3H3;6,13H,4-5,7-12,19H2,1-3H3;6,13H,4-5,7-11H2,1-3H3;1-6H3;2*1-6H;1-4H2;2*1-2H3;1H2;1H,(H,2,3);1H/b;;;16-14-;;;;;;;;;;;;;;;/t4*17-,23-,24+;16-,22-,23+;15-,18-,19+;2*14-,18-,19+;2*13-,17-,18+;;;;;;;;;/m0000000000........./s1
InChIKeyKDYJNIIPCOFHNN-RQDHLMLJSA-N
XLogP55.35
TPSA717.25 Ų
H-Bond Donors10
H-Bond Acceptors40
Rotatable Bonds13
Heavy Atoms297
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5004168.02
LogP ≤ 555.35
H-Bond Donors ≤ 510
H-Bond Acceptors ≤ 1040

Analyze (4aS,8aS,10aR)-8a-(aminomethyl)-1,1,4a-trimethyl-3,4,6,7,8,9,10,10a-octahydrophenanthren-2-one;bis((4aR,8aR,10aR)-8a-(aminomethyl)-3-isocyano-1,1,4a-trimethyl-8,9,10,10a-tetrahydro-7H-phenanthrene-2,6-dione);(4aS,8aS,10aR)-1,1,4a-trimethyl-2-oxo-3,4,6,7,8,9,10,10a-octahydrophenanthrene-8a-carbonitrile;(4'aS,8'aS,10'aR)-1',1',4'a-trimethylspiro[1,3-dioxolane-2,2'-3,4,6,7,8,9,10,10a-octahydrophenanthrene]-8'a-carbonitrile;benzene;tert-butyl N-[[(4aS,6aR,11aS)-7,7,11a-trimethyl-3,4,5,6,6a,11-hexahydro-2H-naphtho[1,2-f][1,2]benzoxazol-4a-yl]methyl]carbamate;tert-butyl N-[[(4aR,6aR,11aS)-7,7,11a-trimethyl-2-oxo-3,4,5,6,6a,11-hexahydronaphtho[1,2-f][1,2]benzoxazol-4a-yl]methyl]carbamate;tert-butyl N-[[(4aS,8aS,10aR)-1,1,4a-trimethyl-2-oxo-3,4,6,7,8,9,10,10a-octahydrophenanthren-8a-yl]methyl]carbamate;tert-butyl N-[[(3Z,4aS,8aS,10aR)-3-(hydroxymethylidene)-1,1,4a-trimethyl-2-oxo-6,7,8,9,10,10a-hexahydro-4H-phenanthren-8a-yl]methyl]carbamate;tert-butyl N-[[(4aR,8aR,10aR)-3-isocyano-1,1,4a-trimethyl-2,6-dioxo-8,9,10,10a-tetrahydro-7H-phenanthren-8a-yl]methyl]carbamate;tert-butyl (2-methylpropan-2-yl)oxycarbonyl carbonate;dichloromethane;ethane;formic acid;oxolane;hydrochloride with MolForge

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Related Compounds

(4bR,8aR,10aS)-10a-(4-aminobut-1-ynyl)-6-isocyano-4b,8,8-trimethyl-3,7-dioxo-9,10-dihydro-8aH-phenanthrene-2-carbonitrile;(4bS,8aR,10aR)-10a-ethynyl-4b,8,8-trimethylspiro[1,2,3,5,6,8a,9,10-octahydrophenanthrene-7,2'-1,3-dioxolane];tert-butyl N-[4-[(4aS,8aR,10aR)-1,1,4a-trimethyl-2-oxo-3,4,6,7,8,9,10,10a-octahydrophenanthren-8a-yl]but-3-ynyl]carbamate;methane;hydrochloride;hydroiodide
CID 159598185
tert-butyl N-[[(4aS,8aS,10aR)-1,1,4a-trimethyl-2-oxo-3,4,6,7,8,9,10,10a-octahydrophenanthren-8a-yl]methyl]carbamate
CID 58802173
(4aS,8aS,10aR)-8a-(hydroxymethyl)-1,1,4a-trimethyl-3,4,6,7,8,9,10,10a-octahydrophenanthren-2-one;(4bS,8aR,10aR)-10a-(2-chloroethenyl)-4b,8,8-trimethylspiro[1,2,3,5,6,8a,9,10-octahydrophenanthrene-7,2'-1,3-dioxolane];(4bR,8aR,10aS)-10a-ethynyl-6-isocyano-4b,8,8-trimethyl-3,7-dioxo-9,10-dihydro-8aH-phenanthrene-2-carbonitrile;(4bR,8aR,10aR)-6-isocyano-4b,8,8-trimethyl-3,7-dioxo-10a-(2-trimethylsilylethynyl)-9,10-dihydro-8aH-phenanthrene-2-carbonitrile
CID 160597447
(4aR,8aR,10aR)-8a-(hydroxymethyl)-1,1,4a-trimethyl-6,7,8,9,10,10a-hexahydrophenanthren-2-one;bis((4aS,8aS,10aR)-8a-(hydroxymethyl)-1,1,4a-trimethyl-3,4,6,7,8,9,10,10a-octahydrophenanthren-2-one);[(4R,4'aS,5R,8'aS,10'aR)-1',1',4,4'a,5-pentamethylspiro[1,3-dioxolane-2,2'-3,4,6,7,8,9,10,10a-octahydrophenanthrene]-8'a-yl]methanol;(4aS,10aR)-8a-(hydroxymethyl)-1,1,4a-trimethyl-3,4,6,7,8,9,10,10a-octahydrophenanthren-2-one;(4aR)-8a-(hydroxymethyl)-1,1,4a-trimethyl-3,4,6,7,8,9,10,10a-octahydrophenanthren-2-one;[(4R,4'aR,5R)-1',1',4,4'a,5-pentamethylspiro[1,3-dioxolane-2,2'-3,4,6,7,8,9,10,10a-octahydrophenanthrene]-8'a-yl]methanol;(4bS,8aR,10aR)-10a-(2-chloroethenyl)-4b,8,8-trimethylspiro[1,2,3,5,6,8a,9,10-octahydrophenanthrene-7,2'-1,3-dioxolane];(4bR,8aR,10aS)-10a-ethynyl-6-isocyano-4b,8,8-trimethyl-3,7-dioxo-9,10-dihydro-8aH-phenanthrene-2-carbonitrile;(4bR,8aR,10aR)-6-isocyano-4b,8,8-trimethyl-3,7-dioxo-10a-(2-trimethylsilylethynyl)-9,10-dihydro-8aH-phenanthrene-2-carbonitrile;(4bS,10aS)-6-isocyano-4b,8,8-trimethyl-3,7-dioxo-10a-(2-trimethylsilylethynyl)-9,10-dihydro-8aH-phenanthrene-2-carbonitrile;(2R,3S)-butane-2,3-diol;methane
CID 159591138
(5'aR,9'aS)-2',6',6',9'a-tetramethylspiro[1,3-dioxolane-2,7'-5,5a,8,9-tetrahydro-4H-benzo[g]indazole]-3'-amine;(5aR,9aS)-3-(chloroamino)-2,6,6,9a-tetramethyl-5,5a,8,9-tetrahydro-4H-benzo[g]indazol-7-one;tert-butyl N-[(5aR,10aS)-2,6,6,10a-tetramethyl-4,5,5a,10-tetrahydroindazolo[7,6-f][1,2]benzoxazol-3-yl]carbamate;tert-butyl N-[(5aR,9aS)-2,6,6,9a-tetramethyl-7-oxo-5,5a,8,9-tetrahydro-4H-benzo[g]indazol-3-yl]carbamate;tert-butyl N-[(5aR,9aS)-8-formyl-2,6,6,9a-tetramethyl-7-oxo-5,5a,8,9-tetrahydro-4H-benzo[g]indazol-3-yl]carbamate;tert-butyl N-[(5aR,9aS)-8-isocyano-2,6,6,9a-tetramethyl-7-oxo-5,5a,8,9-tetrahydro-4H-benzo[g]indazol-3-yl]carbamate
CID 158486016
(5aR,10aS)-6,6,10a-trimethyl-1-phenyl-4,5,5a,10-tetrahydroindazolo[7,6-f][1,2]benzoxazole;(5aR,8Z,9aS)-8-(hydroxymethylidene)-6,6,9a-trimethyl-1-phenyl-4,5,5a,9-tetrahydrobenzo[g]indazol-7-one;(5aR,9aR)-8-isocyano-6,6,9a-trimethyl-1-phenyl-5,5a-dihydro-4H-benzo[g]indazol-7-one;(5aR,9aS)-8-isocyano-6,6,9a-trimethyl-1-phenyl-4,5,5a,9-tetrahydrobenzo[g]indazol-7-ol;N-methylhydroxylamine;tritiomethane
CID 159717379
methyl (4aS,6aR,11aS)-4a,7,7,11a-tetramethyl-5,6,6a,11-tetrahydro-2H-naphtho[1,2-f][1,2]benzoxazole-3-carboxylate
CID 10903966
methyl (4aR,10aR)-3-isocyano-1,1,4a-trimethyl-2,6-dioxo-8,9,10,10a-tetrahydro-7H-phenanthrene-8a-carboxylate
CID 59214818
(5aR,9aS)-2,6,6,9a-tetramethyl-3-(1-methyl-1,2,4-triazol-3-yl)-5,5a,8,9-tetrahydro-4H-benzo[g]indazol-7-one;(5aR,10aS)-2,6,6,10a-tetramethyl-3-(1-methyl-1,2,4-triazol-3-yl)-4,5,5a,10-tetrahydroindazolo[7,6-f][1,2]benzoxazole;(5'aR,9'aS)-2',6',6',9'a-tetramethyl-3'-(1-methyl-1,2,4-triazol-3-yl)spiro[1,3-dioxolane-2,7'-5,5a,8,9-tetrahydro-4H-benzo[g]indazole];(5'aR,9'aS)-2',6',6',9'a-tetramethylspiro[1,3-dioxolane-2,7'-5,5a,8,9-tetrahydro-4H-benzo[g]indazole]-3'-carboxamide;(5'aR,9'aS)-N-(dimethylaminomethylidene)-2',6',6',9'a-tetramethylspiro[1,3-dioxolane-2,7'-5,5a,8,9-tetrahydro-4H-benzo[g]indazole]-3'-carboxamide;(5aR,8Z,9aS)-8-(hydroxymethylidene)-2,6,6,9a-tetramethyl-3-(1-methyl-1,2,4-triazol-3-yl)-4,5,5a,9-tetrahydrobenzo[g]indazol-7-one
CID 157161856
(4aS,8aS,10aR)-8a-(methoxymethyl)-1,1,4a-trimethyl-3,4,6,7,8,9,10,10a-octahydrophenanthren-2-one
CID 11644982
8a-(hydroxymethyl)-1,1,4a-trimethyl-3,4,6,7,8,9,10,10a-octahydrophenanthren-2-one
CID 59826471
(4aR,8aR,10aR)-8a-(hydroxymethyl)-1,1,4a-trimethyl-3,4,6,7,8,9,10,10a-octahydrophenanthren-2-one
CID 59301055

Frequently Asked Questions

What is the IUPAC name of (4aS,8aS,10aR)-8a-(aminomethyl)-1,1,4a-trimethyl-3,4,6,7,8,9,10,10a-octahydrophenanthren-2-one;bis((4aR,8aR,10aR)-8a-(aminomethyl)-3-isocyano-1,1,4a-trimethyl-8,9,10,10a-tetrahydro-7H-phenanthrene-2,6-dione);(4aS,8aS,10aR)-1,1,4a-trimethyl-2-oxo-3,4,6,7,8,9,10,10a-octahydrophenanthrene-8a-carbonitrile;(4'aS,8'aS,10'aR)-1',1',4'a-trimethylspiro[1,3-dioxolane-2,2'-3,4,6,7,8,9,10,10a-octahydrophenanthrene]-8'a-carbonitrile;benzene;tert-butyl N-[[(4aS,6aR,11aS)-7,7,11a-trimethyl-3,4,5,6,6a,11-hexahydro-2H-naphtho[1,2-f][1,2]benzoxazol-4a-yl]methyl]carbamate;tert-butyl N-[[(4aR,6aR,11aS)-7,7,11a-trimethyl-2-oxo-3,4,5,6,6a,11-hexahydronaphtho[1,2-f][1,2]benzoxazol-4a-yl]methyl]carbamate;tert-butyl N-[[(4aS,8aS,10aR)-1,1,4a-trimethyl-2-oxo-3,4,6,7,8,9,10,10a-octahydrophenanthren-8a-yl]methyl]carbamate;tert-butyl N-[[(3Z,4aS,8aS,10aR)-3-(hydroxymethylidene)-1,1,4a-trimethyl-2-oxo-6,7,8,9,10,10a-hexahydro-4H-phenanthren-8a-yl]methyl]carbamate;tert-butyl N-[[(4aR,8aR,10aR)-3-isocyano-1,1,4a-trimethyl-2,6-dioxo-8,9,10,10a-tetrahydro-7H-phenanthren-8a-yl]methyl]carbamate;tert-butyl (2-methylpropan-2-yl)oxycarbonyl carbonate;dichloromethane;ethane;formic acid;oxolane;hydrochloride?
The IUPAC name of (4aS,8aS,10aR)-8a-(aminomethyl)-1,1,4a-trimethyl-3,4,6,7,8,9,10,10a-octahydrophenanthren-2-one;bis((4aR,8aR,10aR)-8a-(aminomethyl)-3-isocyano-1,1,4a-trimethyl-8,9,10,10a-tetrahydro-7H-phenanthrene-2,6-dione);(4aS,8aS,10aR)-1,1,4a-trimethyl-2-oxo-3,4,6,7,8,9,10,10a-octahydrophenanthrene-8a-carbonitrile;(4'aS,8'aS,10'aR)-1',1',4'a-trimethylspiro[1,3-dioxolane-2,2'-3,4,6,7,8,9,10,10a-octahydrophenanthrene]-8'a-carbonitrile;benzene;tert-butyl N-[[(4aS,6aR,11aS)-7,7,11a-trimethyl-3,4,5,6,6a,11-hexahydro-2H-naphtho[1,2-f][1,2]benzoxazol-4a-yl]methyl]carbamate;tert-butyl N-[[(4aR,6aR,11aS)-7,7,11a-trimethyl-2-oxo-3,4,5,6,6a,11-hexahydronaphtho[1,2-f][1,2]benzoxazol-4a-yl]methyl]carbamate;tert-butyl N-[[(4aS,8aS,10aR)-1,1,4a-trimethyl-2-oxo-3,4,6,7,8,9,10,10a-octahydrophenanthren-8a-yl]methyl]carbamate;tert-butyl N-[[(3Z,4aS,8aS,10aR)-3-(hydroxymethylidene)-1,1,4a-trimethyl-2-oxo-6,7,8,9,10,10a-hexahydro-4H-phenanthren-8a-yl]methyl]carbamate;tert-butyl N-[[(4aR,8aR,10aR)-3-isocyano-1,1,4a-trimethyl-2,6-dioxo-8,9,10,10a-tetrahydro-7H-phenanthren-8a-yl]methyl]carbamate;tert-butyl (2-methylpropan-2-yl)oxycarbonyl carbonate;dichloromethane;ethane;formic acid;oxolane;hydrochloride (CID 158908872) is (4aS,8aS,10aR)-8a-(aminomethyl)-1,1,4a-trimethyl-3,4,6,7,8,9,10,10a-octahydrophenanthren-2-one;bis((4aR,8aR,10aR)-8a-(aminomethyl)-3-isocyano-1,1,4a-trimethyl-8,9,10,10a-tetrahydro-7H-phenanthrene-2,6-dione);(4aS,8aS,10aR)-1,1,4a-trimethyl-2-oxo-3,4,6,7,8,9,10,10a-octahydrophenanthrene-8a-carbonitrile;(4'aS,8'aS,10'aR)-1',1',4'a-trimethylspiro[1,3-dioxolane-2,2'-3,4,6,7,8,9,10,10a-octahydrophenanthrene]-8'a-carbonitrile;benzene;tert-butyl N-[[(4aS,6aR,11aS)-7,7,11a-trimethyl-3,4,5,6,6a,11-hexahydro-2H-naphtho[1,2-f][1,2]benzoxazol-4a-yl]methyl]carbamate;tert-butyl N-[[(4aR,6aR,11aS)-7,7,11a-trimethyl-2-oxo-3,4,5,6,6a,11-hexahydronaphtho[1,2-f][1,2]benzoxazol-4a-yl]methyl]carbamate;tert-butyl N-[[(4aS,8aS,10aR)-1,1,4a-trimethyl-2-oxo-3,4,6,7,8,9,10,10a-octahydrophenanthren-8a-yl]methyl]carbamate;tert-butyl N-[[(3Z,4aS,8aS,10aR)-3-(hydroxymethylidene)-1,1,4a-trimethyl-2-oxo-6,7,8,9,10,10a-hexahydro-4H-phenanthren-8a-yl]methyl]carbamate;tert-butyl N-[[(4aR,8aR,10aR)-3-isocyano-1,1,4a-trimethyl-2,6-dioxo-8,9,10,10a-tetrahydro-7H-phenanthren-8a-yl]methyl]carbamate;tert-butyl (2-methylpropan-2-yl)oxycarbonyl carbonate;dichloromethane;ethane;formic acid;oxolane;hydrochloride.
What is the SMILES notation for (4aS,8aS,10aR)-8a-(aminomethyl)-1,1,4a-trimethyl-3,4,6,7,8,9,10,10a-octahydrophenanthren-2-one;bis((4aR,8aR,10aR)-8a-(aminomethyl)-3-isocyano-1,1,4a-trimethyl-8,9,10,10a-tetrahydro-7H-phenanthrene-2,6-dione);(4aS,8aS,10aR)-1,1,4a-trimethyl-2-oxo-3,4,6,7,8,9,10,10a-octahydrophenanthrene-8a-carbonitrile;(4'aS,8'aS,10'aR)-1',1',4'a-trimethylspiro[1,3-dioxolane-2,2'-3,4,6,7,8,9,10,10a-octahydrophenanthrene]-8'a-carbonitrile;benzene;tert-butyl N-[[(4aS,6aR,11aS)-7,7,11a-trimethyl-3,4,5,6,6a,11-hexahydro-2H-naphtho[1,2-f][1,2]benzoxazol-4a-yl]methyl]carbamate;tert-butyl N-[[(4aR,6aR,11aS)-7,7,11a-trimethyl-2-oxo-3,4,5,6,6a,11-hexahydronaphtho[1,2-f][1,2]benzoxazol-4a-yl]methyl]carbamate;tert-butyl N-[[(4aS,8aS,10aR)-1,1,4a-trimethyl-2-oxo-3,4,6,7,8,9,10,10a-octahydrophenanthren-8a-yl]methyl]carbamate;tert-butyl N-[[(3Z,4aS,8aS,10aR)-3-(hydroxymethylidene)-1,1,4a-trimethyl-2-oxo-6,7,8,9,10,10a-hexahydro-4H-phenanthren-8a-yl]methyl]carbamate;tert-butyl N-[[(4aR,8aR,10aR)-3-isocyano-1,1,4a-trimethyl-2,6-dioxo-8,9,10,10a-tetrahydro-7H-phenanthren-8a-yl]methyl]carbamate;tert-butyl (2-methylpropan-2-yl)oxycarbonyl carbonate;dichloromethane;ethane;formic acid;oxolane;hydrochloride?
The canonical SMILES for (4aS,8aS,10aR)-8a-(aminomethyl)-1,1,4a-trimethyl-3,4,6,7,8,9,10,10a-octahydrophenanthren-2-one;bis((4aR,8aR,10aR)-8a-(aminomethyl)-3-isocyano-1,1,4a-trimethyl-8,9,10,10a-tetrahydro-7H-phenanthrene-2,6-dione);(4aS,8aS,10aR)-1,1,4a-trimethyl-2-oxo-3,4,6,7,8,9,10,10a-octahydrophenanthrene-8a-carbonitrile;(4'aS,8'aS,10'aR)-1',1',4'a-trimethylspiro[1,3-dioxolane-2,2'-3,4,6,7,8,9,10,10a-octahydrophenanthrene]-8'a-carbonitrile;benzene;tert-butyl N-[[(4aS,6aR,11aS)-7,7,11a-trimethyl-3,4,5,6,6a,11-hexahydro-2H-naphtho[1,2-f][1,2]benzoxazol-4a-yl]methyl]carbamate;tert-butyl N-[[(4aR,6aR,11aS)-7,7,11a-trimethyl-2-oxo-3,4,5,6,6a,11-hexahydronaphtho[1,2-f][1,2]benzoxazol-4a-yl]methyl]carbamate;tert-butyl N-[[(4aS,8aS,10aR)-1,1,4a-trimethyl-2-oxo-3,4,6,7,8,9,10,10a-octahydrophenanthren-8a-yl]methyl]carbamate;tert-butyl N-[[(3Z,4aS,8aS,10aR)-3-(hydroxymethylidene)-1,1,4a-trimethyl-2-oxo-6,7,8,9,10,10a-hexahydro-4H-phenanthren-8a-yl]methyl]carbamate;tert-butyl N-[[(4aR,8aR,10aR)-3-isocyano-1,1,4a-trimethyl-2,6-dioxo-8,9,10,10a-tetrahydro-7H-phenanthren-8a-yl]methyl]carbamate;tert-butyl (2-methylpropan-2-yl)oxycarbonyl carbonate;dichloromethane;ethane;formic acid;oxolane;hydrochloride is C1CCOC1.CC.CC.CC(C)(C)OC(=O)NC[C@]12CCC(=O)C=C1[C@@]1(C)Cc3cnoc3C(C)(C)[C@@H]1CC2.CC(C)(C)OC(=O)NC[C@]12CCCC=C1[C@@]1(C)C/C(=C/O)C(=O)C(C)(C)[C@@H]1CC2.CC(C)(C)OC(=O)NC[C@]12CCCC=C1[C@@]1(C)CCC(=O)C(C)(C)[C@@H]1CC2.CC(C)(C)OC(=O)NC[C@]12CCCC=C1[C@@]1(C)Cc3cnoc3C(C)(C)[C@@H]1CC2.CC(C)(C)OC(=O)OC(=O)OC(C)(C)C.CC1(C)C(=O)CC[C@]2(C)C3=CCCC[C@]3(C#N)CC[C@@H]12.CC1(C)C(=O)CC[C@]2(C)C3=CCCC[C@]3(CN)CC[C@@H]12.CC1(C)[C@@H]2CC[C@@]3(C#N)CCCC=C3[C@@]2(C)CCC12OCCO2.Cl.ClCCl.O=CO.[C-]#[N+]C1=C[C@]2(C)C3=CC(=O)CC[C@]3(CN)CC[C@H]2C(C)(C)C1=O.[C-]#[N+]C1=C[C@]2(C)C3=CC(=O)CC[C@]3(CN)CC[C@H]2C(C)(C)C1=O.[C-]#[N+]C1=C[C@]2(C)C3=CC(=O)CC[C@]3(CNC(=O)OC(C)(C)C)CC[C@H]2C(C)(C)C1=O.c1ccccc1.c1ccccc1.
What is the InChIKey of (4aS,8aS,10aR)-8a-(aminomethyl)-1,1,4a-trimethyl-3,4,6,7,8,9,10,10a-octahydrophenanthren-2-one;bis((4aR,8aR,10aR)-8a-(aminomethyl)-3-isocyano-1,1,4a-trimethyl-8,9,10,10a-tetrahydro-7H-phenanthrene-2,6-dione);(4aS,8aS,10aR)-1,1,4a-trimethyl-2-oxo-3,4,6,7,8,9,10,10a-octahydrophenanthrene-8a-carbonitrile;(4'aS,8'aS,10'aR)-1',1',4'a-trimethylspiro[1,3-dioxolane-2,2'-3,4,6,7,8,9,10,10a-octahydrophenanthrene]-8'a-carbonitrile;benzene;tert-butyl N-[[(4aS,6aR,11aS)-7,7,11a-trimethyl-3,4,5,6,6a,11-hexahydro-2H-naphtho[1,2-f][1,2]benzoxazol-4a-yl]methyl]carbamate;tert-butyl N-[[(4aR,6aR,11aS)-7,7,11a-trimethyl-2-oxo-3,4,5,6,6a,11-hexahydronaphtho[1,2-f][1,2]benzoxazol-4a-yl]methyl]carbamate;tert-butyl N-[[(4aS,8aS,10aR)-1,1,4a-trimethyl-2-oxo-3,4,6,7,8,9,10,10a-octahydrophenanthren-8a-yl]methyl]carbamate;tert-butyl N-[[(3Z,4aS,8aS,10aR)-3-(hydroxymethylidene)-1,1,4a-trimethyl-2-oxo-6,7,8,9,10,10a-hexahydro-4H-phenanthren-8a-yl]methyl]carbamate;tert-butyl N-[[(4aR,8aR,10aR)-3-isocyano-1,1,4a-trimethyl-2,6-dioxo-8,9,10,10a-tetrahydro-7H-phenanthren-8a-yl]methyl]carbamate;tert-butyl (2-methylpropan-2-yl)oxycarbonyl carbonate;dichloromethane;ethane;formic acid;oxolane;hydrochloride?
The InChIKey is KDYJNIIPCOFHNN-RQDHLMLJSA-N. The full InChI is InChI=1S/C24H34N2O4.C24H32N2O4.C24H36N2O3.C24H37NO4.C23H37NO3.C20H29NO2.2C19H24N2O2.C18H29NO.C18H25NO.C10H18O5.2C6H6.C4H8O.2C2H6.CH2Cl2.CH2O2.ClH/c1-21(2,3)29-20(28)25-14-24-9-7-16(27)11-18(24)23(6)12-15-13-26-30-19(15)22(4,5)17(23)8-10-24;1-21(2,3)30-20(29)26-14-24-10-8-15(27)12-18(24)23(6)13-16(25-7)19(28)22(4,5)17(23)9-11-24;1-21(2,3)28-20(27)25-15-24-11-8-7-9-18(24)23(6)13-16-14-26-29-19(16)22(4,5)17(23)10-12-24;1-21(2,3)29-20(28)25-15-24-11-8-7-9-18(24)23(6)13-16(14-26)19(27)22(4,5)17(23)10-12-24;1-20(2,3)27-19(26)24-15-23-12-8-7-9-17(23)22(6)13-11-18(25)21(4,5)16(22)10-14-23;1-17(2)15-7-9-19(14-21)8-5-4-6-16(19)18(15,3)10-11-20(17)22-12-13-23-20;2*1-17(2)14-6-8-19(11-20)7-5-12(22)9-15(19)18(14,3)10-13(21-4)16(17)23;2*1-16(2)13-7-11-18(12-19)9-5-4-6-14(18)17(13,3)10-8-15(16)20;1-9(2,3)14-7(11)13-8(12)15-10(4,5)6;2*1-2-4-6-5-3-1;1-2-4-5-3-1;2*1-2;2*2-1-3;/h11,13,17H,7-10,12,14H2,1-6H3,(H,25,28);12-13,17H,8-11,14H2,1-6H3,(H,26,29);9,14,17H,7-8,10-13,15H2,1-6H3,(H,25,27);9,14,17,26H,7-8,10-13,15H2,1-6H3,(H,25,28);9,16H,7-8,10-15H2,1-6H3,(H,24,26);6,15H,4-5,7-13H2,1-3H3;2*9-10,14H,5-8,11,20H2,1-3H3;6,13H,4-5,7-12,19H2,1-3H3;6,13H,4-5,7-11H2,1-3H3;1-6H3;2*1-6H;1-4H2;2*1-2H3;1H2;1H,(H,2,3);1H/b;;;16-14-;;;;;;;;;;;;;;;/t4*17-,23-,24+;16-,22-,23+;15-,18-,19+;2*14-,18-,19+;2*13-,17-,18+;;;;;;;;;/m0000000000........./s1.
What are the key properties of (4aS,8aS,10aR)-8a-(aminomethyl)-1,1,4a-trimethyl-3,4,6,7,8,9,10,10a-octahydrophenanthren-2-one;bis((4aR,8aR,10aR)-8a-(aminomethyl)-3-isocyano-1,1,4a-trimethyl-8,9,10,10a-tetrahydro-7H-phenanthrene-2,6-dione);(4aS,8aS,10aR)-1,1,4a-trimethyl-2-oxo-3,4,6,7,8,9,10,10a-octahydrophenanthrene-8a-carbonitrile;(4'aS,8'aS,10'aR)-1',1',4'a-trimethylspiro[1,3-dioxolane-2,2'-3,4,6,7,8,9,10,10a-octahydrophenanthrene]-8'a-carbonitrile;benzene;tert-butyl N-[[(4aS,6aR,11aS)-7,7,11a-trimethyl-3,4,5,6,6a,11-hexahydro-2H-naphtho[1,2-f][1,2]benzoxazol-4a-yl]methyl]carbamate;tert-butyl N-[[(4aR,6aR,11aS)-7,7,11a-trimethyl-2-oxo-3,4,5,6,6a,11-hexahydronaphtho[1,2-f][1,2]benzoxazol-4a-yl]methyl]carbamate;tert-butyl N-[[(4aS,8aS,10aR)-1,1,4a-trimethyl-2-oxo-3,4,6,7,8,9,10,10a-octahydrophenanthren-8a-yl]methyl]carbamate;tert-butyl N-[[(3Z,4aS,8aS,10aR)-3-(hydroxymethylidene)-1,1,4a-trimethyl-2-oxo-6,7,8,9,10,10a-hexahydro-4H-phenanthren-8a-yl]methyl]carbamate;tert-butyl N-[[(4aR,8aR,10aR)-3-isocyano-1,1,4a-trimethyl-2,6-dioxo-8,9,10,10a-tetrahydro-7H-phenanthren-8a-yl]methyl]carbamate;tert-butyl (2-methylpropan-2-yl)oxycarbonyl carbonate;dichloromethane;ethane;formic acid;oxolane;hydrochloride?
(4aS,8aS,10aR)-8a-(aminomethyl)-1,1,4a-trimethyl-3,4,6,7,8,9,10,10a-octahydrophenanthren-2-one;bis((4aR,8aR,10aR)-8a-(aminomethyl)-3-isocyano-1,1,4a-trimethyl-8,9,10,10a-tetrahydro-7H-phenanthrene-2,6-dione);(4aS,8aS,10aR)-1,1,4a-trimethyl-2-oxo-3,4,6,7,8,9,10,10a-octahydrophenanthrene-8a-carbonitrile;(4'aS,8'aS,10'aR)-1',1',4'a-trimethylspiro[1,3-dioxolane-2,2'-3,4,6,7,8,9,10,10a-octahydrophenanthrene]-8'a-carbonitrile;benzene;tert-butyl N-[[(4aS,6aR,11aS)-7,7,11a-trimethyl-3,4,5,6,6a,11-hexahydro-2H-naphtho[1,2-f][1,2]benzoxazol-4a-yl]methyl]carbamate;tert-butyl N-[[(4aR,6aR,11aS)-7,7,11a-trimethyl-2-oxo-3,4,5,6,6a,11-hexahydronaphtho[1,2-f][1,2]benzoxazol-4a-yl]methyl]carbamate;tert-butyl N-[[(4aS,8aS,10aR)-1,1,4a-trimethyl-2-oxo-3,4,6,7,8,9,10,10a-octahydrophenanthren-8a-yl]methyl]carbamate;tert-butyl N-[[(3Z,4aS,8aS,10aR)-3-(hydroxymethylidene)-1,1,4a-trimethyl-2-oxo-6,7,8,9,10,10a-hexahydro-4H-phenanthren-8a-yl]methyl]carbamate;tert-butyl N-[[(4aR,8aR,10aR)-3-isocyano-1,1,4a-trimethyl-2,6-dioxo-8,9,10,10a-tetrahydro-7H-phenanthren-8a-yl]methyl]carbamate;tert-butyl (2-methylpropan-2-yl)oxycarbonyl carbonate;dichloromethane;ethane;formic acid;oxolane;hydrochloride has a molecular weight of 4168.02 g/mol, XLogP of 55.35, 13 rotatable bonds, 10 hydrogen bond donors, and 40 hydrogen bond acceptors.
Where does this data come from?
All data for (4aS,8aS,10aR)-8a-(aminomethyl)-1,1,4a-trimethyl-3,4,6,7,8,9,10,10a-octahydrophenanthren-2-one;bis((4aR,8aR,10aR)-8a-(aminomethyl)-3-isocyano-1,1,4a-trimethyl-8,9,10,10a-tetrahydro-7H-phenanthrene-2,6-dione);(4aS,8aS,10aR)-1,1,4a-trimethyl-2-oxo-3,4,6,7,8,9,10,10a-octahydrophenanthrene-8a-carbonitrile;(4'aS,8'aS,10'aR)-1',1',4'a-trimethylspiro[1,3-dioxolane-2,2'-3,4,6,7,8,9,10,10a-octahydrophenanthrene]-8'a-carbonitrile;benzene;tert-butyl N-[[(4aS,6aR,11aS)-7,7,11a-trimethyl-3,4,5,6,6a,11-hexahydro-2H-naphtho[1,2-f][1,2]benzoxazol-4a-yl]methyl]carbamate;tert-butyl N-[[(4aR,6aR,11aS)-7,7,11a-trimethyl-2-oxo-3,4,5,6,6a,11-hexahydronaphtho[1,2-f][1,2]benzoxazol-4a-yl]methyl]carbamate;tert-butyl N-[[(4aS,8aS,10aR)-1,1,4a-trimethyl-2-oxo-3,4,6,7,8,9,10,10a-octahydrophenanthren-8a-yl]methyl]carbamate;tert-butyl N-[[(3Z,4aS,8aS,10aR)-3-(hydroxymethylidene)-1,1,4a-trimethyl-2-oxo-6,7,8,9,10,10a-hexahydro-4H-phenanthren-8a-yl]methyl]carbamate;tert-butyl N-[[(4aR,8aR,10aR)-3-isocyano-1,1,4a-trimethyl-2,6-dioxo-8,9,10,10a-tetrahydro-7H-phenanthren-8a-yl]methyl]carbamate;tert-butyl (2-methylpropan-2-yl)oxycarbonyl carbonate;dichloromethane;ethane;formic acid;oxolane;hydrochloride is sourced from PubChem (CID 158908872), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).