(3E,8S,9S,10R,11S,13S,14S,16R,17S)-3-[(3-bromophenyl)methoxyimino]-17-[(Z)-N-(dimethylamino)-C-ethylcarbonimidoyl]-10,13,16,17-tetramethyl-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthren-11-ol;1-[(3E,8S,9S,10R,11S,13S,14S,16R,17S)-3-[(3-bromophenyl)methoxyimino]-11-hydroxy-10,13,16,17-tetramethyl-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthren-17-yl]propan-1-one;O-[(3-bromophenyl)methyl]hydroxylamine;carbanide;ethene;1-[(3E,8S,9S,10R,11S,13S,14S,16R,17S)-11-hydroxy-10,13,16,17-tetramethyl-3-[(3-methylphenyl)methoxyimino]-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthren-17-yl]propan-1-one;1-[(3E,8S,9S,10R,11S,13S,14S,16R,17S)-11-hydroxy-10,13,16,17-tetramethyl-3-(phenylmethoxyimino)-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthren-17-yl]propan-1-one;methane;prop-1-ene;yttrium

C141H194Br3N7O12Y-2 — CID 172984897

About (3E,8S,9S,10R,11S,13S,14S,16R,17S)-3-[(3-bromophenyl)methoxyimino]-17-[(Z)-N-(dimethylamino)-C-ethylcarbonimidoyl]-10,13,16,17-tetramethyl-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthren-11-ol;1-[(3E,8S,9S,10R,11S,13S,14S,16R,17S)-3-[(3-bromophenyl)methoxyimino]-11-hydroxy-10,13,16,17-tetramethyl-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthren-17-yl]propan-1-one;O-[(3-bromophenyl)methyl]hydroxylamine;carbanide;ethene;1-[(3E,8S,9S,10R,11S,13S,14S,16R,17S)-11-hydroxy-10,13,16,17-tetramethyl-3-[(3-methylphenyl)methoxyimino]-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthren-17-yl]propan-1-one;1-[(3E,8S,9S,10R,11S,13S,14S,16R,17S)-11-hydroxy-10,13,16,17-tetramethyl-3-(phenylmethoxyimino)-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthren-17-yl]propan-1-one;methane;prop-1-ene;yttrium

(3E,8S,9S,10R,11S,13S,14S,16R,17S)-3-[(3-bromophenyl)methoxyimino]-17-[(Z)-N-(dimethylamino)-C-ethylcarbonimidoyl]-10,13,16,17-tetramethyl-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthren-11-ol;1-[(3E,8S,9S,10R,11S,13S,14S,16R,17S)-3-[(3-bromophenyl)methoxyimino]-11-hydroxy-10,13,16,17-tetramethyl-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthren-17-yl]propan-1-one;O-[(3-bromophenyl)methyl]hydroxylamine;carbanide;ethene;1-[(3E,8S,9S,10R,11S,13S,14S,16R,17S)-11-hydroxy-10,13,16,17-tetramethyl-3-[(3-methylphenyl)methoxyimino]-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthren-17-yl]propan-1-one;1-[(3E,8S,9S,10R,11S,13S,14S,16R,17S)-11-hydroxy-10,13,16,17-tetramethyl-3-(phenylmethoxyimino)-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthren-17-yl]propan-1-one;methane;prop-1-ene;yttrium (PubChem CID 172984897) has the molecular formula C141H194Br3N7O12Y-2 and a molecular weight of 2507.76 g/mol. Its IUPAC name is (3E,8S,9S,10R,11S,13S,14S,16R,17S)-3-[(3-bromophenyl)methoxyimino]-17-[(Z)-N-(dimethylamino)-C-ethylcarbonimidoyl]-10,13,16,17-tetramethyl-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthren-11-ol;1-[(3E,8S,9S,10R,11S,13S,14S,16R,17S)-3-[(3-bromophenyl)methoxyimino]-11-hydroxy-10,13,16,17-tetramethyl-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthren-17-yl]propan-1-one;O-[(3-bromophenyl)methyl]hydroxylamine;carbanide;ethene;1-[(3E,8S,9S,10R,11S,13S,14S,16R,17S)-11-hydroxy-10,13,16,17-tetramethyl-3-[(3-methylphenyl)methoxyimino]-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthren-17-yl]propan-1-one;1-[(3E,8S,9S,10R,11S,13S,14S,16R,17S)-11-hydroxy-10,13,16,17-tetramethyl-3-(phenylmethoxyimino)-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthren-17-yl]propan-1-one;methane;prop-1-ene;yttrium.

Molecular Properties

• Compound Name: (3E,8S,9S,10R,11S,13S,14S,16R,17S)-3-[(3-bromophenyl)methoxyimino]-17-[(Z)-N-(dimethylamino)-C-ethylcarbonimidoyl]-10,13,16,17-tetramethyl-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthren-11-ol;1-[(3E,8S,9S,10R,11S,13S,14S,16R,17S)-3-[(3-bromophenyl)methoxyimino]-11-hydroxy-10,13,16,17-tetramethyl-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthren-17-yl]propan-1-one;O-[(3-bromophenyl)methyl]hydroxylamine;carbanide;ethene;1-[(3E,8S,9S,10R,11S,13S,14S,16R,17S)-11-hydroxy-10,13,16,17-tetramethyl-3-[(3-methylphenyl)methoxyimino]-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthren-17-yl]propan-1-one;1-[(3E,8S,9S,10R,11S,13S,14S,16R,17S)-11-hydroxy-10,13,16,17-tetramethyl-3-(phenylmethoxyimino)-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthren-17-yl]propan-1-one;methane;prop-1-ene;yttrium
• PubChem CID: 172984897
• Molecular Formula: C141H194Br3N7O12Y-2
• Molecular Weight: 2507.76 g/mol
• Exact Mass: 2503.14
• IUPAC Name: (3E,8S,9S,10R,11S,13S,14S,16R,17S)-3-[(3-bromophenyl)methoxyimino]-17-[(Z)-N-(dimethylamino)-C-ethylcarbonimidoyl]-10,13,16,17-tetramethyl-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthren-11-ol;1-[(3E,8S,9S,10R,11S,13S,14S,16R,17S)-3-[(3-bromophenyl)methoxyimino]-11-hydroxy-10,13,16,17-tetramethyl-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthren-17-yl]propan-1-one;O-[(3-bromophenyl)methyl]hydroxylamine;carbanide;ethene;1-[(3E,8S,9S,10R,11S,13S,14S,16R,17S)-11-hydroxy-10,13,16,17-tetramethyl-3-[(3-methylphenyl)methoxyimino]-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthren-17-yl]propan-1-one;1-[(3E,8S,9S,10R,11S,13S,14S,16R,17S)-11-hydroxy-10,13,16,17-tetramethyl-3-(phenylmethoxyimino)-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthren-17-yl]propan-1-one;methane;prop-1-ene;yttrium
• SMILES: C.C=C.C=CC.CC/C(=N/N(C)C)[C@@]1(C)[C@H](C)C[C@H]2[C@@H]3CCC4=C/C(=N/OCc5cccc(Br)c5)C=C[C@]4(C)[C@H]3[C@@H](O)C[C@@]21C.CCC(=O)[C@@]1(C)[C@H](C)C[C@H]2[C@@H]3CCC4=C/C(=N/OCc5c[c-]ccc5)C=C[C@]4(C)[C@H]3[C@@H](O)C[C@@]21C.CCC(=O)[C@@]1(C)[C@H](C)C[C@H]2[C@@H]3CCC4=C/C(=N/OCc5cccc(Br)c5)C=C[C@]4(C)[C@H]3[C@@H](O)C[C@@]21C.CCC(=O)[C@@]1(C)[C@H](C)C[C@H]2[C@@H]3CCC4=C/C(=N/OCc5cccc(C)c5)C=C[C@]4(C)[C@H]3[C@@H](O)C[C@@]21C.NOCc1cccc(Br)c1.[CH3-].[Y]
• InChI: InChI=1S/C33H46BrN3O2.C32H43NO3.C31H40BrNO3.C31H40NO3.C7H8BrNO.C3H6.C2H4.CH4.CH3.Y/c1-8-29(35-37(6)7)33(5)21(2)16-27-26-13-12-23-18-25(36-39-20-22-10-9-11-24(34)17-22)14-15-31(23,3)30(26)28(38)19-32(27,33)4;1-7-28(35)32(6)21(3)16-26-25-12-11-23-17-24(33-36-19-22-10-8-9-20(2)15-22)13-14-30(23,4)29(25)27(34)18-31(26,32)5;1-6-27(35)31(5)19(2)14-25-24-11-10-21-16-23(33-36-18-20-8-7-9-22(32)15-20)12-13-29(21,3)28(24)26(34)17-30(25,31)4;1-6-27(34)31(5)20(2)16-25-24-13-12-22-17-23(32-35-19-21-10-8-7-9-11-21)14-15-29(22,3)28(24)26(33)18-30(25,31)4;8-7-3-1-2-6(4-7)5-10-9;1-3-2;1-2;;;/h9-11,14-15,17-18,21,26-28,30,38H,8,12-13,16,19-20H2,1-7H3;8-10,13-15,17,21,25-27,29,34H,7,11-12,16,18-19H2,1-6H3;7-9,12-13,15-16,19,24-26,28,34H,6,10-11,14,17-18H2,1-5H3;7-8,10-11,14-15,17,20,24-26,28,33H,6,12-13,16,18-19H2,1-5H3;1-4H,5,9H2;3H,1H2,2H3;1-2H2;1H4;1H3;/q;;;-1;;;;;-1;/b35-29-,36-25+;33-24+;33-23+;32-23+;;;;;;/t21-,26+,27+,28+,30-,31+,32+,33-;21-,25+,26+,27+,29-,30+,31+,32-;19-,24+,25+,26+,28-,29+,30+,31-;20-,24+,25+,26+,28-,29+,30+,31-;;;;;;/m1111....../s1
• InChIKey: KIRZXXZGGDBNHY-JKSTTXBOSA-N
• XLogP: 32.90
• TPSA: 269.34 Ų
• H-Bond Donors: 5
• H-Bond Acceptors: 19
• Rotatable Bonds: 23
• Heavy Atoms: 164
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2507.76
LogP ≤ 5	32.90
H-Bond Donors ≤ 5	5
H-Bond Acceptors ≤ 10	19

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of (3E,8S,9S,10R,11S,13S,14S,16R,17S)-3-[(3-bromophenyl)methoxyimino]-17-[(Z)-N-(dimethylamino)-C-ethylcarbonimidoyl]-10,13,16,17-tetramethyl-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthren-11-ol;1-[(3E,8S,9S,10R,11S,13S,14S,16R,17S)-3-[(3-bromophenyl)methoxyimino]-11-hydroxy-10,13,16,17-tetramethyl-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthren-17-yl]propan-1-one;O-[(3-bromophenyl)methyl]hydroxylamine;carbanide;ethene;1-[(3E,8S,9S,10R,11S,13S,14S,16R,17S)-11-hydroxy-10,13,16,17-tetramethyl-3-[(3-methylphenyl)methoxyimino]-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthren-17-yl]propan-1-one;1-[(3E,8S,9S,10R,11S,13S,14S,16R,17S)-11-hydroxy-10,13,16,17-tetramethyl-3-(phenylmethoxyimino)-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthren-17-yl]propan-1-one;methane;prop-1-ene;yttrium?

The IUPAC name of (3E,8S,9S,10R,11S,13S,14S,16R,17S)-3-[(3-bromophenyl)methoxyimino]-17-[(Z)-N-(dimethylamino)-C-ethylcarbonimidoyl]-10,13,16,17-tetramethyl-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthren-11-ol;1-[(3E,8S,9S,10R,11S,13S,14S,16R,17S)-3-[(3-bromophenyl)methoxyimino]-11-hydroxy-10,13,16,17-tetramethyl-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthren-17-yl]propan-1-one;O-[(3-bromophenyl)methyl]hydroxylamine;carbanide;ethene;1-[(3E,8S,9S,10R,11S,13S,14S,16R,17S)-11-hydroxy-10,13,16,17-tetramethyl-3-[(3-methylphenyl)methoxyimino]-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthren-17-yl]propan-1-one;1-[(3E,8S,9S,10R,11S,13S,14S,16R,17S)-11-hydroxy-10,13,16,17-tetramethyl-3-(phenylmethoxyimino)-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthren-17-yl]propan-1-one;methane;prop-1-ene;yttrium (CID 172984897) is (3E,8S,9S,10R,11S,13S,14S,16R,17S)-3-[(3-bromophenyl)methoxyimino]-17-[(Z)-N-(dimethylamino)-C-ethylcarbonimidoyl]-10,13,16,17-tetramethyl-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthren-11-ol;1-[(3E,8S,9S,10R,11S,13S,14S,16R,17S)-3-[(3-bromophenyl)methoxyimino]-11-hydroxy-10,13,16,17-tetramethyl-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthren-17-yl]propan-1-one;O-[(3-bromophenyl)methyl]hydroxylamine;carbanide;ethene;1-[(3E,8S,9S,10R,11S,13S,14S,16R,17S)-11-hydroxy-10,13,16,17-tetramethyl-3-[(3-methylphenyl)methoxyimino]-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthren-17-yl]propan-1-one;1-[(3E,8S,9S,10R,11S,13S,14S,16R,17S)-11-hydroxy-10,13,16,17-tetramethyl-3-(phenylmethoxyimino)-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthren-17-yl]propan-1-one;methane;prop-1-ene;yttrium.

What is the SMILES notation for (3E,8S,9S,10R,11S,13S,14S,16R,17S)-3-[(3-bromophenyl)methoxyimino]-17-[(Z)-N-(dimethylamino)-C-ethylcarbonimidoyl]-10,13,16,17-tetramethyl-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthren-11-ol;1-[(3E,8S,9S,10R,11S,13S,14S,16R,17S)-3-[(3-bromophenyl)methoxyimino]-11-hydroxy-10,13,16,17-tetramethyl-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthren-17-yl]propan-1-one;O-[(3-bromophenyl)methyl]hydroxylamine;carbanide;ethene;1-[(3E,8S,9S,10R,11S,13S,14S,16R,17S)-11-hydroxy-10,13,16,17-tetramethyl-3-[(3-methylphenyl)methoxyimino]-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthren-17-yl]propan-1-one;1-[(3E,8S,9S,10R,11S,13S,14S,16R,17S)-11-hydroxy-10,13,16,17-tetramethyl-3-(phenylmethoxyimino)-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthren-17-yl]propan-1-one;methane;prop-1-ene;yttrium?

The canonical SMILES for (3E,8S,9S,10R,11S,13S,14S,16R,17S)-3-[(3-bromophenyl)methoxyimino]-17-[(Z)-N-(dimethylamino)-C-ethylcarbonimidoyl]-10,13,16,17-tetramethyl-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthren-11-ol;1-[(3E,8S,9S,10R,11S,13S,14S,16R,17S)-3-[(3-bromophenyl)methoxyimino]-11-hydroxy-10,13,16,17-tetramethyl-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthren-17-yl]propan-1-one;O-[(3-bromophenyl)methyl]hydroxylamine;carbanide;ethene;1-[(3E,8S,9S,10R,11S,13S,14S,16R,17S)-11-hydroxy-10,13,16,17-tetramethyl-3-[(3-methylphenyl)methoxyimino]-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthren-17-yl]propan-1-one;1-[(3E,8S,9S,10R,11S,13S,14S,16R,17S)-11-hydroxy-10,13,16,17-tetramethyl-3-(phenylmethoxyimino)-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthren-17-yl]propan-1-one;methane;prop-1-ene;yttrium is C.C=C.C=CC.CC/C(=N/N(C)C)[C@@]1(C)[C@H](C)C[C@H]2[C@@H]3CCC4=C/C(=N/OCc5cccc(Br)c5)C=C[C@]4(C)[C@H]3[C@@H](O)C[C@@]21C.CCC(=O)[C@@]1(C)[C@H](C)C[C@H]2[C@@H]3CCC4=C/C(=N/OCc5c[c-]ccc5)C=C[C@]4(C)[C@H]3[C@@H](O)C[C@@]21C.CCC(=O)[C@@]1(C)[C@H](C)C[C@H]2[C@@H]3CCC4=C/C(=N/OCc5cccc(Br)c5)C=C[C@]4(C)[C@H]3[C@@H](O)C[C@@]21C.CCC(=O)[C@@]1(C)[C@H](C)C[C@H]2[C@@H]3CCC4=C/C(=N/OCc5cccc(C)c5)C=C[C@]4(C)[C@H]3[C@@H](O)C[C@@]21C.NOCc1cccc(Br)c1.[CH3-].[Y].

What is the InChIKey of (3E,8S,9S,10R,11S,13S,14S,16R,17S)-3-[(3-bromophenyl)methoxyimino]-17-[(Z)-N-(dimethylamino)-C-ethylcarbonimidoyl]-10,13,16,17-tetramethyl-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthren-11-ol;1-[(3E,8S,9S,10R,11S,13S,14S,16R,17S)-3-[(3-bromophenyl)methoxyimino]-11-hydroxy-10,13,16,17-tetramethyl-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthren-17-yl]propan-1-one;O-[(3-bromophenyl)methyl]hydroxylamine;carbanide;ethene;1-[(3E,8S,9S,10R,11S,13S,14S,16R,17S)-11-hydroxy-10,13,16,17-tetramethyl-3-[(3-methylphenyl)methoxyimino]-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthren-17-yl]propan-1-one;1-[(3E,8S,9S,10R,11S,13S,14S,16R,17S)-11-hydroxy-10,13,16,17-tetramethyl-3-(phenylmethoxyimino)-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthren-17-yl]propan-1-one;methane;prop-1-ene;yttrium?

The InChIKey is KIRZXXZGGDBNHY-JKSTTXBOSA-N. The full InChI is InChI=1S/C33H46BrN3O2.C32H43NO3.C31H40BrNO3.C31H40NO3.C7H8BrNO.C3H6.C2H4.CH4.CH3.Y/c1-8-29(35-37(6)7)33(5)21(2)16-27-26-13-12-23-18-25(36-39-20-22-10-9-11-24(34)17-22)14-15-31(23,3)30(26)28(38)19-32(27,33)4;1-7-28(35)32(6)21(3)16-26-25-12-11-23-17-24(33-36-19-22-10-8-9-20(2)15-22)13-14-30(23,4)29(25)27(34)18-31(26,32)5;1-6-27(35)31(5)19(2)14-25-24-11-10-21-16-23(33-36-18-20-8-7-9-22(32)15-20)12-13-29(21,3)28(24)26(34)17-30(25,31)4;1-6-27(34)31(5)20(2)16-25-24-13-12-22-17-23(32-35-19-21-10-8-7-9-11-21)14-15-29(22,3)28(24)26(33)18-30(25,31)4;8-7-3-1-2-6(4-7)5-10-9;1-3-2;1-2;;;/h9-11,14-15,17-18,21,26-28,30,38H,8,12-13,16,19-20H2,1-7H3;8-10,13-15,17,21,25-27,29,34H,7,11-12,16,18-19H2,1-6H3;7-9,12-13,15-16,19,24-26,28,34H,6,10-11,14,17-18H2,1-5H3;7-8,10-11,14-15,17,20,24-26,28,33H,6,12-13,16,18-19H2,1-5H3;1-4H,5,9H2;3H,1H2,2H3;1-2H2;1H4;1H3;/q;;;-1;;;;;-1;/b35-29-,36-25+;33-24+;33-23+;32-23+;;;;;;/t21-,26+,27+,28+,30-,31+,32+,33-;21-,25+,26+,27+,29-,30+,31+,32-;19-,24+,25+,26+,28-,29+,30+,31-;20-,24+,25+,26+,28-,29+,30+,31-;;;;;;/m1111....../s1.

What are the key properties of (3E,8S,9S,10R,11S,13S,14S,16R,17S)-3-[(3-bromophenyl)methoxyimino]-17-[(Z)-N-(dimethylamino)-C-ethylcarbonimidoyl]-10,13,16,17-tetramethyl-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthren-11-ol;1-[(3E,8S,9S,10R,11S,13S,14S,16R,17S)-3-[(3-bromophenyl)methoxyimino]-11-hydroxy-10,13,16,17-tetramethyl-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthren-17-yl]propan-1-one;O-[(3-bromophenyl)methyl]hydroxylamine;carbanide;ethene;1-[(3E,8S,9S,10R,11S,13S,14S,16R,17S)-11-hydroxy-10,13,16,17-tetramethyl-3-[(3-methylphenyl)methoxyimino]-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthren-17-yl]propan-1-one;1-[(3E,8S,9S,10R,11S,13S,14S,16R,17S)-11-hydroxy-10,13,16,17-tetramethyl-3-(phenylmethoxyimino)-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthren-17-yl]propan-1-one;methane;prop-1-ene;yttrium?

(3E,8S,9S,10R,11S,13S,14S,16R,17S)-3-[(3-bromophenyl)methoxyimino]-17-[(Z)-N-(dimethylamino)-C-ethylcarbonimidoyl]-10,13,16,17-tetramethyl-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthren-11-ol;1-[(3E,8S,9S,10R,11S,13S,14S,16R,17S)-3-[(3-bromophenyl)methoxyimino]-11-hydroxy-10,13,16,17-tetramethyl-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthren-17-yl]propan-1-one;O-[(3-bromophenyl)methyl]hydroxylamine;carbanide;ethene;1-[(3E,8S,9S,10R,11S,13S,14S,16R,17S)-11-hydroxy-10,13,16,17-tetramethyl-3-[(3-methylphenyl)methoxyimino]-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthren-17-yl]propan-1-one;1-[(3E,8S,9S,10R,11S,13S,14S,16R,17S)-11-hydroxy-10,13,16,17-tetramethyl-3-(phenylmethoxyimino)-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthren-17-yl]propan-1-one;methane;prop-1-ene;yttrium has a molecular weight of 2507.76 g/mol, XLogP of 32.90, 23 rotatable bonds, 5 hydrogen bond donors, and 19 hydrogen bond acceptors.

Where does this data come from?

All data for (3E,8S,9S,10R,11S,13S,14S,16R,17S)-3-[(3-bromophenyl)methoxyimino]-17-[(Z)-N-(dimethylamino)-C-ethylcarbonimidoyl]-10,13,16,17-tetramethyl-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthren-11-ol;1-[(3E,8S,9S,10R,11S,13S,14S,16R,17S)-3-[(3-bromophenyl)methoxyimino]-11-hydroxy-10,13,16,17-tetramethyl-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthren-17-yl]propan-1-one;O-[(3-bromophenyl)methyl]hydroxylamine;carbanide;ethene;1-[(3E,8S,9S,10R,11S,13S,14S,16R,17S)-11-hydroxy-10,13,16,17-tetramethyl-3-[(3-methylphenyl)methoxyimino]-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthren-17-yl]propan-1-one;1-[(3E,8S,9S,10R,11S,13S,14S,16R,17S)-11-hydroxy-10,13,16,17-tetramethyl-3-(phenylmethoxyimino)-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthren-17-yl]propan-1-one;methane;prop-1-ene;yttrium is sourced from PubChem (CID 172984897), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).