(3aR,5aR,5bR,7aR,11aS,11bR,13aS)-5a,5b,8,8,11a-pentamethyl-9-[4-[(2-methylpropan-2-yl)oxycarbonyl]cyclohexen-1-yl]-2-oxo-1-propan-2-yl-4,5,6,7,7a,11,11b,12,13,13a-decahydro-3H-cyclopenta[a]chrysene-3a-carboxylic acid;4-[(3aR,5aR,5bR,7aR,11aS,11bR,13aS)-3a-[[(1R)-1-(4-chlorophenyl)ethyl]-[2-(dimethylamino)ethyl]carbamoyl]-5a,5b,8,8,11a-pentamethyl-2-oxo-1-propan-2-yl-4,5,6,7,7a,11,11b,12,13,13a-decahydro-3H-cyclopenta[a]chrysen-9-yl]cyclohex-3-ene-1-carboxylic acid;tert-butyl 4-[(3aR,5aR,5bR,7aR,11aS,11bR,13aS)-3a-[[(1R)-1-(4-chlorophenyl)ethyl]-[2-(dimethylamino)ethyl]carbamoyl]-5a,5b,8,8,11a-pentamethyl-2-oxo-1-propan-2-yl-4,5,6,7,7a,11,11b,12,13,13a-decahydro-3H-cyclopenta[a]chrysen-9-yl]cyclohex-3-ene-1-carboxylate;N-[(1R)-1-(4-chlorophenyl)ethyl]-N',N'-dimethylethane-1,2-diamine;hydrochloride

C155H226Cl4N6O13 — CID 158936724

About (3aR,5aR,5bR,7aR,11aS,11bR,13aS)-5a,5b,8,8,11a-pentamethyl-9-[4-[(2-methylpropan-2-yl)oxycarbonyl]cyclohexen-1-yl]-2-oxo-1-propan-2-yl-4,5,6,7,7a,11,11b,12,13,13a-decahydro-3H-cyclopenta[a]chrysene-3a-carboxylic acid;4-[(3aR,5aR,5bR,7aR,11aS,11bR,13aS)-3a-[[(1R)-1-(4-chlorophenyl)ethyl]-[2-(dimethylamino)ethyl]carbamoyl]-5a,5b,8,8,11a-pentamethyl-2-oxo-1-propan-2-yl-4,5,6,7,7a,11,11b,12,13,13a-decahydro-3H-cyclopenta[a]chrysen-9-yl]cyclohex-3-ene-1-carboxylic acid;tert-butyl 4-[(3aR,5aR,5bR,7aR,11aS,11bR,13aS)-3a-[[(1R)-1-(4-chlorophenyl)ethyl]-[2-(dimethylamino)ethyl]carbamoyl]-5a,5b,8,8,11a-pentamethyl-2-oxo-1-propan-2-yl-4,5,6,7,7a,11,11b,12,13,13a-decahydro-3H-cyclopenta[a]chrysen-9-yl]cyclohex-3-ene-1-carboxylate;N-[(1R)-1-(4-chlorophenyl)ethyl]-N',N'-dimethylethane-1,2-diamine;hydrochloride

(3aR,5aR,5bR,7aR,11aS,11bR,13aS)-5a,5b,8,8,11a-pentamethyl-9-[4-[(2-methylpropan-2-yl)oxycarbonyl]cyclohexen-1-yl]-2-oxo-1-propan-2-yl-4,5,6,7,7a,11,11b,12,13,13a-decahydro-3H-cyclopenta[a]chrysene-3a-carboxylic acid;4-[(3aR,5aR,5bR,7aR,11aS,11bR,13aS)-3a-[[(1R)-1-(4-chlorophenyl)ethyl]-[2-(dimethylamino)ethyl]carbamoyl]-5a,5b,8,8,11a-pentamethyl-2-oxo-1-propan-2-yl-4,5,6,7,7a,11,11b,12,13,13a-decahydro-3H-cyclopenta[a]chrysen-9-yl]cyclohex-3-ene-1-carboxylic acid;tert-butyl 4-[(3aR,5aR,5bR,7aR,11aS,11bR,13aS)-3a-[[(1R)-1-(4-chlorophenyl)ethyl]-[2-(dimethylamino)ethyl]carbamoyl]-5a,5b,8,8,11a-pentamethyl-2-oxo-1-propan-2-yl-4,5,6,7,7a,11,11b,12,13,13a-decahydro-3H-cyclopenta[a]chrysen-9-yl]cyclohex-3-ene-1-carboxylate;N-[(1R)-1-(4-chlorophenyl)ethyl]-N',N'-dimethylethane-1,2-diamine;hydrochloride (PubChem CID 158936724) has the molecular formula C155H226Cl4N6O13 and a molecular weight of 2523.35 g/mol. Its IUPAC name is (3aR,5aR,5bR,7aR,11aS,11bR,13aS)-5a,5b,8,8,11a-pentamethyl-9-[4-[(2-methylpropan-2-yl)oxycarbonyl]cyclohexen-1-yl]-2-oxo-1-propan-2-yl-4,5,6,7,7a,11,11b,12,13,13a-decahydro-3H-cyclopenta[a]chrysene-3a-carboxylic acid;4-[(3aR,5aR,5bR,7aR,11aS,11bR,13aS)-3a-[[(1R)-1-(4-chlorophenyl)ethyl]-[2-(dimethylamino)ethyl]carbamoyl]-5a,5b,8,8,11a-pentamethyl-2-oxo-1-propan-2-yl-4,5,6,7,7a,11,11b,12,13,13a-decahydro-3H-cyclopenta[a]chrysen-9-yl]cyclohex-3-ene-1-carboxylic acid;tert-butyl 4-[(3aR,5aR,5bR,7aR,11aS,11bR,13aS)-3a-[[(1R)-1-(4-chlorophenyl)ethyl]-[2-(dimethylamino)ethyl]carbamoyl]-5a,5b,8,8,11a-pentamethyl-2-oxo-1-propan-2-yl-4,5,6,7,7a,11,11b,12,13,13a-decahydro-3H-cyclopenta[a]chrysen-9-yl]cyclohex-3-ene-1-carboxylate;N-[(1R)-1-(4-chlorophenyl)ethyl]-N',N'-dimethylethane-1,2-diamine;hydrochloride.

Molecular Properties

• Compound Name: (3aR,5aR,5bR,7aR,11aS,11bR,13aS)-5a,5b,8,8,11a-pentamethyl-9-[4-[(2-methylpropan-2-yl)oxycarbonyl]cyclohexen-1-yl]-2-oxo-1-propan-2-yl-4,5,6,7,7a,11,11b,12,13,13a-decahydro-3H-cyclopenta[a]chrysene-3a-carboxylic acid;4-[(3aR,5aR,5bR,7aR,11aS,11bR,13aS)-3a-[[(1R)-1-(4-chlorophenyl)ethyl]-[2-(dimethylamino)ethyl]carbamoyl]-5a,5b,8,8,11a-pentamethyl-2-oxo-1-propan-2-yl-4,5,6,7,7a,11,11b,12,13,13a-decahydro-3H-cyclopenta[a]chrysen-9-yl]cyclohex-3-ene-1-carboxylic acid;tert-butyl 4-[(3aR,5aR,5bR,7aR,11aS,11bR,13aS)-3a-[[(1R)-1-(4-chlorophenyl)ethyl]-[2-(dimethylamino)ethyl]carbamoyl]-5a,5b,8,8,11a-pentamethyl-2-oxo-1-propan-2-yl-4,5,6,7,7a,11,11b,12,13,13a-decahydro-3H-cyclopenta[a]chrysen-9-yl]cyclohex-3-ene-1-carboxylate;N-[(1R)-1-(4-chlorophenyl)ethyl]-N',N'-dimethylethane-1,2-diamine;hydrochloride
• PubChem CID: 158936724
• Molecular Formula: C155H226Cl4N6O13
• Molecular Weight: 2523.35 g/mol
• Exact Mass: 2519.60
• IUPAC Name: (3aR,5aR,5bR,7aR,11aS,11bR,13aS)-5a,5b,8,8,11a-pentamethyl-9-[4-[(2-methylpropan-2-yl)oxycarbonyl]cyclohexen-1-yl]-2-oxo-1-propan-2-yl-4,5,6,7,7a,11,11b,12,13,13a-decahydro-3H-cyclopenta[a]chrysene-3a-carboxylic acid;4-[(3aR,5aR,5bR,7aR,11aS,11bR,13aS)-3a-[[(1R)-1-(4-chlorophenyl)ethyl]-[2-(dimethylamino)ethyl]carbamoyl]-5a,5b,8,8,11a-pentamethyl-2-oxo-1-propan-2-yl-4,5,6,7,7a,11,11b,12,13,13a-decahydro-3H-cyclopenta[a]chrysen-9-yl]cyclohex-3-ene-1-carboxylic acid;tert-butyl 4-[(3aR,5aR,5bR,7aR,11aS,11bR,13aS)-3a-[[(1R)-1-(4-chlorophenyl)ethyl]-[2-(dimethylamino)ethyl]carbamoyl]-5a,5b,8,8,11a-pentamethyl-2-oxo-1-propan-2-yl-4,5,6,7,7a,11,11b,12,13,13a-decahydro-3H-cyclopenta[a]chrysen-9-yl]cyclohex-3-ene-1-carboxylate;N-[(1R)-1-(4-chlorophenyl)ethyl]-N',N'-dimethylethane-1,2-diamine;hydrochloride
• SMILES: CC(C)C1=C2[C@H]3CC[C@@H]4[C@@]5(C)CC=C(C6=CCC(C(=O)O)CC6)C(C)(C)[C@@H]5CC[C@@]4(C)[C@]3(C)CC[C@@]2(C(=O)N(CCN(C)C)[C@H](C)c2ccc(Cl)cc2)CC1=O.CC(C)C1=C2[C@H]3CC[C@@H]4[C@@]5(C)CC=C(C6=CCC(C(=O)OC(C)(C)C)CC6)C(C)(C)[C@@H]5CC[C@@]4(C)[C@]3(C)CC[C@@]2(C(=O)N(CCN(C)C)[C@H](C)c2ccc(Cl)cc2)CC1=O.CC(C)C1=C2[C@H]3CC[C@@H]4[C@@]5(C)CC=C(C6=CCC(C(=O)OC(C)(C)C)CC6)C(C)(C)[C@@H]5CC[C@@]4(C)[C@]3(C)CC[C@@]2(C(=O)O)CC1=O.C[C@@H](NCCN(C)C)c1ccc(Cl)cc1.Cl
• InChI: InChI=1S/C53H77ClN2O4.C49H69ClN2O4.C41H60O5.C12H19ClN2.ClH/c1-33(2)44-41(57)32-53(47(59)56(31-30-55(12)13)34(3)35-18-20-38(54)21-19-35)29-28-51(10)40(45(44)53)22-23-43-50(9)26-24-39(49(7,8)42(50)25-27-52(43,51)11)36-14-16-37(17-15-36)46(58)60-48(4,5)6;1-30(2)41-38(53)29-49(44(56)52(28-27-51(9)10)31(3)32-15-17-35(50)18-16-32)26-25-47(7)37(42(41)49)19-20-40-46(6)23-21-36(33-11-13-34(14-12-33)43(54)55)45(4,5)39(46)22-24-48(40,47)8;1-24(2)32-29(42)23-41(35(44)45)22-21-39(9)28(33(32)41)15-16-31-38(8)19-17-27(37(6,7)30(38)18-20-40(31,39)10)25-11-13-26(14-12-25)34(43)46-36(3,4)5;1-10(14-8-9-15(2)3)11-4-6-12(13)7-5-11;/h14,18-21,24,33-34,37,40,42-43H,15-17,22-23,25-32H2,1-13H3;11,15-18,21,30-31,34,37,39-40H,12-14,19-20,22-29H2,1-10H3,(H,54,55);11,17,24,26,28,30-31H,12-16,18-23H2,1-10H3,(H,44,45);4-7,10,14H,8-9H2,1-3H3;1H/t34-,37?,40-,42+,43-,50+,51-,52-,53-;31-,34?,37-,39+,40-,46+,47-,48-,49-;26?,28-,30+,31-,38+,39-,40-,41-;10-;/m1111./s1
• InChIKey: CCXJCZNVPUGEBV-JOPNUHLBSA-N
• XLogP: 36.13
• TPSA: 240.78 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 15
• Rotatable Bonds: 27
• Heavy Atoms: 178
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2523.35
LogP ≤ 5	36.13
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	15

Frequently Asked Questions

What is the IUPAC name of (3aR,5aR,5bR,7aR,11aS,11bR,13aS)-5a,5b,8,8,11a-pentamethyl-9-[4-[(2-methylpropan-2-yl)oxycarbonyl]cyclohexen-1-yl]-2-oxo-1-propan-2-yl-4,5,6,7,7a,11,11b,12,13,13a-decahydro-3H-cyclopenta[a]chrysene-3a-carboxylic acid;4-[(3aR,5aR,5bR,7aR,11aS,11bR,13aS)-3a-[[(1R)-1-(4-chlorophenyl)ethyl]-[2-(dimethylamino)ethyl]carbamoyl]-5a,5b,8,8,11a-pentamethyl-2-oxo-1-propan-2-yl-4,5,6,7,7a,11,11b,12,13,13a-decahydro-3H-cyclopenta[a]chrysen-9-yl]cyclohex-3-ene-1-carboxylic acid;tert-butyl 4-[(3aR,5aR,5bR,7aR,11aS,11bR,13aS)-3a-[[(1R)-1-(4-chlorophenyl)ethyl]-[2-(dimethylamino)ethyl]carbamoyl]-5a,5b,8,8,11a-pentamethyl-2-oxo-1-propan-2-yl-4,5,6,7,7a,11,11b,12,13,13a-decahydro-3H-cyclopenta[a]chrysen-9-yl]cyclohex-3-ene-1-carboxylate;N-[(1R)-1-(4-chlorophenyl)ethyl]-N',N'-dimethylethane-1,2-diamine;hydrochloride?

The IUPAC name of (3aR,5aR,5bR,7aR,11aS,11bR,13aS)-5a,5b,8,8,11a-pentamethyl-9-[4-[(2-methylpropan-2-yl)oxycarbonyl]cyclohexen-1-yl]-2-oxo-1-propan-2-yl-4,5,6,7,7a,11,11b,12,13,13a-decahydro-3H-cyclopenta[a]chrysene-3a-carboxylic acid;4-[(3aR,5aR,5bR,7aR,11aS,11bR,13aS)-3a-[[(1R)-1-(4-chlorophenyl)ethyl]-[2-(dimethylamino)ethyl]carbamoyl]-5a,5b,8,8,11a-pentamethyl-2-oxo-1-propan-2-yl-4,5,6,7,7a,11,11b,12,13,13a-decahydro-3H-cyclopenta[a]chrysen-9-yl]cyclohex-3-ene-1-carboxylic acid;tert-butyl 4-[(3aR,5aR,5bR,7aR,11aS,11bR,13aS)-3a-[[(1R)-1-(4-chlorophenyl)ethyl]-[2-(dimethylamino)ethyl]carbamoyl]-5a,5b,8,8,11a-pentamethyl-2-oxo-1-propan-2-yl-4,5,6,7,7a,11,11b,12,13,13a-decahydro-3H-cyclopenta[a]chrysen-9-yl]cyclohex-3-ene-1-carboxylate;N-[(1R)-1-(4-chlorophenyl)ethyl]-N',N'-dimethylethane-1,2-diamine;hydrochloride (CID 158936724) is (3aR,5aR,5bR,7aR,11aS,11bR,13aS)-5a,5b,8,8,11a-pentamethyl-9-[4-[(2-methylpropan-2-yl)oxycarbonyl]cyclohexen-1-yl]-2-oxo-1-propan-2-yl-4,5,6,7,7a,11,11b,12,13,13a-decahydro-3H-cyclopenta[a]chrysene-3a-carboxylic acid;4-[(3aR,5aR,5bR,7aR,11aS,11bR,13aS)-3a-[[(1R)-1-(4-chlorophenyl)ethyl]-[2-(dimethylamino)ethyl]carbamoyl]-5a,5b,8,8,11a-pentamethyl-2-oxo-1-propan-2-yl-4,5,6,7,7a,11,11b,12,13,13a-decahydro-3H-cyclopenta[a]chrysen-9-yl]cyclohex-3-ene-1-carboxylic acid;tert-butyl 4-[(3aR,5aR,5bR,7aR,11aS,11bR,13aS)-3a-[[(1R)-1-(4-chlorophenyl)ethyl]-[2-(dimethylamino)ethyl]carbamoyl]-5a,5b,8,8,11a-pentamethyl-2-oxo-1-propan-2-yl-4,5,6,7,7a,11,11b,12,13,13a-decahydro-3H-cyclopenta[a]chrysen-9-yl]cyclohex-3-ene-1-carboxylate;N-[(1R)-1-(4-chlorophenyl)ethyl]-N',N'-dimethylethane-1,2-diamine;hydrochloride.

What is the SMILES notation for (3aR,5aR,5bR,7aR,11aS,11bR,13aS)-5a,5b,8,8,11a-pentamethyl-9-[4-[(2-methylpropan-2-yl)oxycarbonyl]cyclohexen-1-yl]-2-oxo-1-propan-2-yl-4,5,6,7,7a,11,11b,12,13,13a-decahydro-3H-cyclopenta[a]chrysene-3a-carboxylic acid;4-[(3aR,5aR,5bR,7aR,11aS,11bR,13aS)-3a-[[(1R)-1-(4-chlorophenyl)ethyl]-[2-(dimethylamino)ethyl]carbamoyl]-5a,5b,8,8,11a-pentamethyl-2-oxo-1-propan-2-yl-4,5,6,7,7a,11,11b,12,13,13a-decahydro-3H-cyclopenta[a]chrysen-9-yl]cyclohex-3-ene-1-carboxylic acid;tert-butyl 4-[(3aR,5aR,5bR,7aR,11aS,11bR,13aS)-3a-[[(1R)-1-(4-chlorophenyl)ethyl]-[2-(dimethylamino)ethyl]carbamoyl]-5a,5b,8,8,11a-pentamethyl-2-oxo-1-propan-2-yl-4,5,6,7,7a,11,11b,12,13,13a-decahydro-3H-cyclopenta[a]chrysen-9-yl]cyclohex-3-ene-1-carboxylate;N-[(1R)-1-(4-chlorophenyl)ethyl]-N',N'-dimethylethane-1,2-diamine;hydrochloride?

The canonical SMILES for (3aR,5aR,5bR,7aR,11aS,11bR,13aS)-5a,5b,8,8,11a-pentamethyl-9-[4-[(2-methylpropan-2-yl)oxycarbonyl]cyclohexen-1-yl]-2-oxo-1-propan-2-yl-4,5,6,7,7a,11,11b,12,13,13a-decahydro-3H-cyclopenta[a]chrysene-3a-carboxylic acid;4-[(3aR,5aR,5bR,7aR,11aS,11bR,13aS)-3a-[[(1R)-1-(4-chlorophenyl)ethyl]-[2-(dimethylamino)ethyl]carbamoyl]-5a,5b,8,8,11a-pentamethyl-2-oxo-1-propan-2-yl-4,5,6,7,7a,11,11b,12,13,13a-decahydro-3H-cyclopenta[a]chrysen-9-yl]cyclohex-3-ene-1-carboxylic acid;tert-butyl 4-[(3aR,5aR,5bR,7aR,11aS,11bR,13aS)-3a-[[(1R)-1-(4-chlorophenyl)ethyl]-[2-(dimethylamino)ethyl]carbamoyl]-5a,5b,8,8,11a-pentamethyl-2-oxo-1-propan-2-yl-4,5,6,7,7a,11,11b,12,13,13a-decahydro-3H-cyclopenta[a]chrysen-9-yl]cyclohex-3-ene-1-carboxylate;N-[(1R)-1-(4-chlorophenyl)ethyl]-N',N'-dimethylethane-1,2-diamine;hydrochloride is CC(C)C1=C2[C@H]3CC[C@@H]4[C@@]5(C)CC=C(C6=CCC(C(=O)O)CC6)C(C)(C)[C@@H]5CC[C@@]4(C)[C@]3(C)CC[C@@]2(C(=O)N(CCN(C)C)[C@H](C)c2ccc(Cl)cc2)CC1=O.CC(C)C1=C2[C@H]3CC[C@@H]4[C@@]5(C)CC=C(C6=CCC(C(=O)OC(C)(C)C)CC6)C(C)(C)[C@@H]5CC[C@@]4(C)[C@]3(C)CC[C@@]2(C(=O)N(CCN(C)C)[C@H](C)c2ccc(Cl)cc2)CC1=O.CC(C)C1=C2[C@H]3CC[C@@H]4[C@@]5(C)CC=C(C6=CCC(C(=O)OC(C)(C)C)CC6)C(C)(C)[C@@H]5CC[C@@]4(C)[C@]3(C)CC[C@@]2(C(=O)O)CC1=O.C[C@@H](NCCN(C)C)c1ccc(Cl)cc1.Cl.

What is the InChIKey of (3aR,5aR,5bR,7aR,11aS,11bR,13aS)-5a,5b,8,8,11a-pentamethyl-9-[4-[(2-methylpropan-2-yl)oxycarbonyl]cyclohexen-1-yl]-2-oxo-1-propan-2-yl-4,5,6,7,7a,11,11b,12,13,13a-decahydro-3H-cyclopenta[a]chrysene-3a-carboxylic acid;4-[(3aR,5aR,5bR,7aR,11aS,11bR,13aS)-3a-[[(1R)-1-(4-chlorophenyl)ethyl]-[2-(dimethylamino)ethyl]carbamoyl]-5a,5b,8,8,11a-pentamethyl-2-oxo-1-propan-2-yl-4,5,6,7,7a,11,11b,12,13,13a-decahydro-3H-cyclopenta[a]chrysen-9-yl]cyclohex-3-ene-1-carboxylic acid;tert-butyl 4-[(3aR,5aR,5bR,7aR,11aS,11bR,13aS)-3a-[[(1R)-1-(4-chlorophenyl)ethyl]-[2-(dimethylamino)ethyl]carbamoyl]-5a,5b,8,8,11a-pentamethyl-2-oxo-1-propan-2-yl-4,5,6,7,7a,11,11b,12,13,13a-decahydro-3H-cyclopenta[a]chrysen-9-yl]cyclohex-3-ene-1-carboxylate;N-[(1R)-1-(4-chlorophenyl)ethyl]-N',N'-dimethylethane-1,2-diamine;hydrochloride?

The InChIKey is CCXJCZNVPUGEBV-JOPNUHLBSA-N. The full InChI is InChI=1S/C53H77ClN2O4.C49H69ClN2O4.C41H60O5.C12H19ClN2.ClH/c1-33(2)44-41(57)32-53(47(59)56(31-30-55(12)13)34(3)35-18-20-38(54)21-19-35)29-28-51(10)40(45(44)53)22-23-43-50(9)26-24-39(49(7,8)42(50)25-27-52(43,51)11)36-14-16-37(17-15-36)46(58)60-48(4,5)6;1-30(2)41-38(53)29-49(44(56)52(28-27-51(9)10)31(3)32-15-17-35(50)18-16-32)26-25-47(7)37(42(41)49)19-20-40-46(6)23-21-36(33-11-13-34(14-12-33)43(54)55)45(4,5)39(46)22-24-48(40,47)8;1-24(2)32-29(42)23-41(35(44)45)22-21-39(9)28(33(32)41)15-16-31-38(8)19-17-27(37(6,7)30(38)18-20-40(31,39)10)25-11-13-26(14-12-25)34(43)46-36(3,4)5;1-10(14-8-9-15(2)3)11-4-6-12(13)7-5-11;/h14,18-21,24,33-34,37,40,42-43H,15-17,22-23,25-32H2,1-13H3;11,15-18,21,30-31,34,37,39-40H,12-14,19-20,22-29H2,1-10H3,(H,54,55);11,17,24,26,28,30-31H,12-16,18-23H2,1-10H3,(H,44,45);4-7,10,14H,8-9H2,1-3H3;1H/t34-,37?,40-,42+,43-,50+,51-,52-,53-;31-,34?,37-,39+,40-,46+,47-,48-,49-;26?,28-,30+,31-,38+,39-,40-,41-;10-;/m1111./s1.

What are the key properties of (3aR,5aR,5bR,7aR,11aS,11bR,13aS)-5a,5b,8,8,11a-pentamethyl-9-[4-[(2-methylpropan-2-yl)oxycarbonyl]cyclohexen-1-yl]-2-oxo-1-propan-2-yl-4,5,6,7,7a,11,11b,12,13,13a-decahydro-3H-cyclopenta[a]chrysene-3a-carboxylic acid;4-[(3aR,5aR,5bR,7aR,11aS,11bR,13aS)-3a-[[(1R)-1-(4-chlorophenyl)ethyl]-[2-(dimethylamino)ethyl]carbamoyl]-5a,5b,8,8,11a-pentamethyl-2-oxo-1-propan-2-yl-4,5,6,7,7a,11,11b,12,13,13a-decahydro-3H-cyclopenta[a]chrysen-9-yl]cyclohex-3-ene-1-carboxylic acid;tert-butyl 4-[(3aR,5aR,5bR,7aR,11aS,11bR,13aS)-3a-[[(1R)-1-(4-chlorophenyl)ethyl]-[2-(dimethylamino)ethyl]carbamoyl]-5a,5b,8,8,11a-pentamethyl-2-oxo-1-propan-2-yl-4,5,6,7,7a,11,11b,12,13,13a-decahydro-3H-cyclopenta[a]chrysen-9-yl]cyclohex-3-ene-1-carboxylate;N-[(1R)-1-(4-chlorophenyl)ethyl]-N',N'-dimethylethane-1,2-diamine;hydrochloride?

(3aR,5aR,5bR,7aR,11aS,11bR,13aS)-5a,5b,8,8,11a-pentamethyl-9-[4-[(2-methylpropan-2-yl)oxycarbonyl]cyclohexen-1-yl]-2-oxo-1-propan-2-yl-4,5,6,7,7a,11,11b,12,13,13a-decahydro-3H-cyclopenta[a]chrysene-3a-carboxylic acid;4-[(3aR,5aR,5bR,7aR,11aS,11bR,13aS)-3a-[[(1R)-1-(4-chlorophenyl)ethyl]-[2-(dimethylamino)ethyl]carbamoyl]-5a,5b,8,8,11a-pentamethyl-2-oxo-1-propan-2-yl-4,5,6,7,7a,11,11b,12,13,13a-decahydro-3H-cyclopenta[a]chrysen-9-yl]cyclohex-3-ene-1-carboxylic acid;tert-butyl 4-[(3aR,5aR,5bR,7aR,11aS,11bR,13aS)-3a-[[(1R)-1-(4-chlorophenyl)ethyl]-[2-(dimethylamino)ethyl]carbamoyl]-5a,5b,8,8,11a-pentamethyl-2-oxo-1-propan-2-yl-4,5,6,7,7a,11,11b,12,13,13a-decahydro-3H-cyclopenta[a]chrysen-9-yl]cyclohex-3-ene-1-carboxylate;N-[(1R)-1-(4-chlorophenyl)ethyl]-N',N'-dimethylethane-1,2-diamine;hydrochloride has a molecular weight of 2523.35 g/mol, XLogP of 36.13, 27 rotatable bonds, 3 hydrogen bond donors, and 15 hydrogen bond acceptors.

Where does this data come from?

All data for (3aR,5aR,5bR,7aR,11aS,11bR,13aS)-5a,5b,8,8,11a-pentamethyl-9-[4-[(2-methylpropan-2-yl)oxycarbonyl]cyclohexen-1-yl]-2-oxo-1-propan-2-yl-4,5,6,7,7a,11,11b,12,13,13a-decahydro-3H-cyclopenta[a]chrysene-3a-carboxylic acid;4-[(3aR,5aR,5bR,7aR,11aS,11bR,13aS)-3a-[[(1R)-1-(4-chlorophenyl)ethyl]-[2-(dimethylamino)ethyl]carbamoyl]-5a,5b,8,8,11a-pentamethyl-2-oxo-1-propan-2-yl-4,5,6,7,7a,11,11b,12,13,13a-decahydro-3H-cyclopenta[a]chrysen-9-yl]cyclohex-3-ene-1-carboxylic acid;tert-butyl 4-[(3aR,5aR,5bR,7aR,11aS,11bR,13aS)-3a-[[(1R)-1-(4-chlorophenyl)ethyl]-[2-(dimethylamino)ethyl]carbamoyl]-5a,5b,8,8,11a-pentamethyl-2-oxo-1-propan-2-yl-4,5,6,7,7a,11,11b,12,13,13a-decahydro-3H-cyclopenta[a]chrysen-9-yl]cyclohex-3-ene-1-carboxylate;N-[(1R)-1-(4-chlorophenyl)ethyl]-N',N'-dimethylethane-1,2-diamine;hydrochloride is sourced from PubChem (CID 158936724), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).