4-[(1R,3aS,5aR,5bR,7aR,11aS,11bR,13aR,13bS)-3a-[2-(dimethylamino)ethylcarbamoyl]-1-[3-[(4-methoxy-4-oxobutanoyl)-methylamino]prop-1-en-2-yl]-5a,5b,8,8,11a-pentamethyl-1,2,3,4,5,6,7,7a,11,11b,12,13,13a,13b-tetradecahydrocyclopenta[a]chrysen-9-yl]benzoic acid;(1R,3aS,5aR,5bR,7aR,11aS,11bR,13aR,13bS)-1-[3-[(4-methoxy-4-oxobutanoyl)-methylamino]prop-1-en-2-yl]-5a,5b,8,8,11a-pentamethyl-9-[4-[(2-methylpropan-2-yl)oxycarbonyl]phenyl]-1,2,3,4,5,6,7,7a,11,11b,12,13,13a,13b-tetradecahydrocyclopenta[a]chrysene-3a-carboxylic acid;tert-butyl 4-[(1R,3aS,5aR,5bR,7aR,11aS,11bR,13aR,13bS)-3a-[2-(dimethylamino)ethylcarbamoyl]-1-[3-[(4-methoxy-4-oxobutanoyl)-methylamino]prop-1-en-2-yl]-5a,5b,8,8,11a-pentamethyl-1,2,3,4,5,6,7,7a,11,11b,12,13,13a,13b-tetradecahydrocyclopenta[a]chrysen-9-yl]benzoate;N',N'-dimethylethane-1,2-diamine;oxalyl dichloride

C151H225Cl2N9O21 — CID 158258344

About 4-[(1R,3aS,5aR,5bR,7aR,11aS,11bR,13aR,13bS)-3a-[2-(dimethylamino)ethylcarbamoyl]-1-[3-[(4-methoxy-4-oxobutanoyl)-methylamino]prop-1-en-2-yl]-5a,5b,8,8,11a-pentamethyl-1,2,3,4,5,6,7,7a,11,11b,12,13,13a,13b-tetradecahydrocyclopenta[a]chrysen-9-yl]benzoic acid;(1R,3aS,5aR,5bR,7aR,11aS,11bR,13aR,13bS)-1-[3-[(4-methoxy-4-oxobutanoyl)-methylamino]prop-1-en-2-yl]-5a,5b,8,8,11a-pentamethyl-9-[4-[(2-methylpropan-2-yl)oxycarbonyl]phenyl]-1,2,3,4,5,6,7,7a,11,11b,12,13,13a,13b-tetradecahydrocyclopenta[a]chrysene-3a-carboxylic acid;tert-butyl 4-[(1R,3aS,5aR,5bR,7aR,11aS,11bR,13aR,13bS)-3a-[2-(dimethylamino)ethylcarbamoyl]-1-[3-[(4-methoxy-4-oxobutanoyl)-methylamino]prop-1-en-2-yl]-5a,5b,8,8,11a-pentamethyl-1,2,3,4,5,6,7,7a,11,11b,12,13,13a,13b-tetradecahydrocyclopenta[a]chrysen-9-yl]benzoate;N',N'-dimethylethane-1,2-diamine;oxalyl dichloride

4-[(1R,3aS,5aR,5bR,7aR,11aS,11bR,13aR,13bS)-3a-[2-(dimethylamino)ethylcarbamoyl]-1-[3-[(4-methoxy-4-oxobutanoyl)-methylamino]prop-1-en-2-yl]-5a,5b,8,8,11a-pentamethyl-1,2,3,4,5,6,7,7a,11,11b,12,13,13a,13b-tetradecahydrocyclopenta[a]chrysen-9-yl]benzoic acid;(1R,3aS,5aR,5bR,7aR,11aS,11bR,13aR,13bS)-1-[3-[(4-methoxy-4-oxobutanoyl)-methylamino]prop-1-en-2-yl]-5a,5b,8,8,11a-pentamethyl-9-[4-[(2-methylpropan-2-yl)oxycarbonyl]phenyl]-1,2,3,4,5,6,7,7a,11,11b,12,13,13a,13b-tetradecahydrocyclopenta[a]chrysene-3a-carboxylic acid;tert-butyl 4-[(1R,3aS,5aR,5bR,7aR,11aS,11bR,13aR,13bS)-3a-[2-(dimethylamino)ethylcarbamoyl]-1-[3-[(4-methoxy-4-oxobutanoyl)-methylamino]prop-1-en-2-yl]-5a,5b,8,8,11a-pentamethyl-1,2,3,4,5,6,7,7a,11,11b,12,13,13a,13b-tetradecahydrocyclopenta[a]chrysen-9-yl]benzoate;N',N'-dimethylethane-1,2-diamine;oxalyl dichloride (PubChem CID 158258344) has the molecular formula C151H225Cl2N9O21 and a molecular weight of 2573.41 g/mol. Its IUPAC name is 4-[(1R,3aS,5aR,5bR,7aR,11aS,11bR,13aR,13bS)-3a-[2-(dimethylamino)ethylcarbamoyl]-1-[3-[(4-methoxy-4-oxobutanoyl)-methylamino]prop-1-en-2-yl]-5a,5b,8,8,11a-pentamethyl-1,2,3,4,5,6,7,7a,11,11b,12,13,13a,13b-tetradecahydrocyclopenta[a]chrysen-9-yl]benzoic acid;(1R,3aS,5aR,5bR,7aR,11aS,11bR,13aR,13bS)-1-[3-[(4-methoxy-4-oxobutanoyl)-methylamino]prop-1-en-2-yl]-5a,5b,8,8,11a-pentamethyl-9-[4-[(2-methylpropan-2-yl)oxycarbonyl]phenyl]-1,2,3,4,5,6,7,7a,11,11b,12,13,13a,13b-tetradecahydrocyclopenta[a]chrysene-3a-carboxylic acid;tert-butyl 4-[(1R,3aS,5aR,5bR,7aR,11aS,11bR,13aR,13bS)-3a-[2-(dimethylamino)ethylcarbamoyl]-1-[3-[(4-methoxy-4-oxobutanoyl)-methylamino]prop-1-en-2-yl]-5a,5b,8,8,11a-pentamethyl-1,2,3,4,5,6,7,7a,11,11b,12,13,13a,13b-tetradecahydrocyclopenta[a]chrysen-9-yl]benzoate;N',N'-dimethylethane-1,2-diamine;oxalyl dichloride.

Molecular Properties

• Compound Name: 4-[(1R,3aS,5aR,5bR,7aR,11aS,11bR,13aR,13bS)-3a-[2-(dimethylamino)ethylcarbamoyl]-1-[3-[(4-methoxy-4-oxobutanoyl)-methylamino]prop-1-en-2-yl]-5a,5b,8,8,11a-pentamethyl-1,2,3,4,5,6,7,7a,11,11b,12,13,13a,13b-tetradecahydrocyclopenta[a]chrysen-9-yl]benzoic acid;(1R,3aS,5aR,5bR,7aR,11aS,11bR,13aR,13bS)-1-[3-[(4-methoxy-4-oxobutanoyl)-methylamino]prop-1-en-2-yl]-5a,5b,8,8,11a-pentamethyl-9-[4-[(2-methylpropan-2-yl)oxycarbonyl]phenyl]-1,2,3,4,5,6,7,7a,11,11b,12,13,13a,13b-tetradecahydrocyclopenta[a]chrysene-3a-carboxylic acid;tert-butyl 4-[(1R,3aS,5aR,5bR,7aR,11aS,11bR,13aR,13bS)-3a-[2-(dimethylamino)ethylcarbamoyl]-1-[3-[(4-methoxy-4-oxobutanoyl)-methylamino]prop-1-en-2-yl]-5a,5b,8,8,11a-pentamethyl-1,2,3,4,5,6,7,7a,11,11b,12,13,13a,13b-tetradecahydrocyclopenta[a]chrysen-9-yl]benzoate;N',N'-dimethylethane-1,2-diamine;oxalyl dichloride
• PubChem CID: 158258344
• Molecular Formula: C151H225Cl2N9O21
• Molecular Weight: 2573.41 g/mol
• Exact Mass: 2570.62
• IUPAC Name: 4-[(1R,3aS,5aR,5bR,7aR,11aS,11bR,13aR,13bS)-3a-[2-(dimethylamino)ethylcarbamoyl]-1-[3-[(4-methoxy-4-oxobutanoyl)-methylamino]prop-1-en-2-yl]-5a,5b,8,8,11a-pentamethyl-1,2,3,4,5,6,7,7a,11,11b,12,13,13a,13b-tetradecahydrocyclopenta[a]chrysen-9-yl]benzoic acid;(1R,3aS,5aR,5bR,7aR,11aS,11bR,13aR,13bS)-1-[3-[(4-methoxy-4-oxobutanoyl)-methylamino]prop-1-en-2-yl]-5a,5b,8,8,11a-pentamethyl-9-[4-[(2-methylpropan-2-yl)oxycarbonyl]phenyl]-1,2,3,4,5,6,7,7a,11,11b,12,13,13a,13b-tetradecahydrocyclopenta[a]chrysene-3a-carboxylic acid;tert-butyl 4-[(1R,3aS,5aR,5bR,7aR,11aS,11bR,13aR,13bS)-3a-[2-(dimethylamino)ethylcarbamoyl]-1-[3-[(4-methoxy-4-oxobutanoyl)-methylamino]prop-1-en-2-yl]-5a,5b,8,8,11a-pentamethyl-1,2,3,4,5,6,7,7a,11,11b,12,13,13a,13b-tetradecahydrocyclopenta[a]chrysen-9-yl]benzoate;N',N'-dimethylethane-1,2-diamine;oxalyl dichloride
• SMILES: C=C(CN(C)C(=O)CCC(=O)OC)[C@@H]1CC[C@]2(C(=O)NCCN(C)C)CC[C@]3(C)[C@H](CC[C@@H]4[C@@]5(C)CC=C(c6ccc(C(=O)O)cc6)C(C)(C)[C@@H]5CC[C@]43C)[C@@H]12.C=C(CN(C)C(=O)CCC(=O)OC)[C@@H]1CC[C@]2(C(=O)NCCN(C)C)CC[C@]3(C)[C@H](CC[C@@H]4[C@@]5(C)CC=C(c6ccc(C(=O)OC(C)(C)C)cc6)C(C)(C)[C@@H]5CC[C@]43C)[C@@H]12.C=C(CN(C)C(=O)CCC(=O)OC)[C@@H]1CC[C@]2(C(=O)O)CC[C@]3(C)[C@H](CC[C@@H]4[C@@]5(C)CC=C(c6ccc(C(=O)OC(C)(C)C)cc6)C(C)(C)[C@@H]5CC[C@]43C)[C@@H]12.CN(C)CCN.O=C(Cl)C(=O)Cl
• InChI: InChI=1S/C51H77N3O6.C47H69N3O6.C47H67NO7.C4H12N2.C2Cl2O2/c1-33(32-54(12)41(55)20-21-42(56)59-13)36-22-27-51(45(58)52-30-31-53(10)11)29-28-49(8)38(43(36)51)18-19-40-48(7)25-23-37(47(5,6)39(48)24-26-50(40,49)9)34-14-16-35(17-15-34)44(57)60-46(2,3)4;1-30(29-50(9)38(51)17-18-39(52)56-10)33-19-24-47(42(55)48-27-28-49(7)8)26-25-45(5)35(40(33)47)15-16-37-44(4)22-20-34(31-11-13-32(14-12-31)41(53)54)43(2,3)36(44)21-23-46(37,45)6;1-29(28-48(10)37(49)18-19-38(50)54-11)32-20-25-47(41(52)53)27-26-45(8)34(39(32)47)16-17-36-44(7)23-21-33(43(5,6)35(44)22-24-46(36,45)9)30-12-14-31(15-13-30)40(51)55-42(2,3)4;1-6(2)4-3-5;3-1(5)2(4)6/h14-17,23,36,38-40,43H,1,18-22,24-32H2,2-13H3,(H,52,58);11-14,20,33,35-37,40H,1,15-19,21-29H2,2-10H3,(H,48,55)(H,53,54);12-15,21,32,34-36,39H,1,16-20,22-28H2,2-11H3,(H,52,53);3-5H2,1-2H3;/t36-,38+,39-,40+,43+,48-,49+,50+,51-;33-,35+,36-,37+,40+,44-,45+,46+,47-;32-,34+,35-,36+,39+,44-,45+,46+,47-;;/m000../s1
• InChIKey: GHOFUULDOBTBOH-NLNAUEDZSA-N
• XLogP: 27.26
• TPSA: 395.11 Ų
• H-Bond Donors: 5
• H-Bond Acceptors: 23
• Rotatable Bonds: 36
• Heavy Atoms: 183
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2573.41
LogP ≤ 5	27.26
H-Bond Donors ≤ 5	5
H-Bond Acceptors ≤ 10	23

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': '>_2_ester_groups', 'substructure': 'N/A'}, {'alert_name': 'acid_halide', 'substructure': 'N/A'}, {'alert_name': 'diketo_group', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 4-[(1R,3aS,5aR,5bR,7aR,11aS,11bR,13aR,13bS)-3a-[2-(dimethylamino)ethylcarbamoyl]-1-[3-[(4-methoxy-4-oxobutanoyl)-methylamino]prop-1-en-2-yl]-5a,5b,8,8,11a-pentamethyl-1,2,3,4,5,6,7,7a,11,11b,12,13,13a,13b-tetradecahydrocyclopenta[a]chrysen-9-yl]benzoic acid;(1R,3aS,5aR,5bR,7aR,11aS,11bR,13aR,13bS)-1-[3-[(4-methoxy-4-oxobutanoyl)-methylamino]prop-1-en-2-yl]-5a,5b,8,8,11a-pentamethyl-9-[4-[(2-methylpropan-2-yl)oxycarbonyl]phenyl]-1,2,3,4,5,6,7,7a,11,11b,12,13,13a,13b-tetradecahydrocyclopenta[a]chrysene-3a-carboxylic acid;tert-butyl 4-[(1R,3aS,5aR,5bR,7aR,11aS,11bR,13aR,13bS)-3a-[2-(dimethylamino)ethylcarbamoyl]-1-[3-[(4-methoxy-4-oxobutanoyl)-methylamino]prop-1-en-2-yl]-5a,5b,8,8,11a-pentamethyl-1,2,3,4,5,6,7,7a,11,11b,12,13,13a,13b-tetradecahydrocyclopenta[a]chrysen-9-yl]benzoate;N',N'-dimethylethane-1,2-diamine;oxalyl dichloride?

The IUPAC name of 4-[(1R,3aS,5aR,5bR,7aR,11aS,11bR,13aR,13bS)-3a-[2-(dimethylamino)ethylcarbamoyl]-1-[3-[(4-methoxy-4-oxobutanoyl)-methylamino]prop-1-en-2-yl]-5a,5b,8,8,11a-pentamethyl-1,2,3,4,5,6,7,7a,11,11b,12,13,13a,13b-tetradecahydrocyclopenta[a]chrysen-9-yl]benzoic acid;(1R,3aS,5aR,5bR,7aR,11aS,11bR,13aR,13bS)-1-[3-[(4-methoxy-4-oxobutanoyl)-methylamino]prop-1-en-2-yl]-5a,5b,8,8,11a-pentamethyl-9-[4-[(2-methylpropan-2-yl)oxycarbonyl]phenyl]-1,2,3,4,5,6,7,7a,11,11b,12,13,13a,13b-tetradecahydrocyclopenta[a]chrysene-3a-carboxylic acid;tert-butyl 4-[(1R,3aS,5aR,5bR,7aR,11aS,11bR,13aR,13bS)-3a-[2-(dimethylamino)ethylcarbamoyl]-1-[3-[(4-methoxy-4-oxobutanoyl)-methylamino]prop-1-en-2-yl]-5a,5b,8,8,11a-pentamethyl-1,2,3,4,5,6,7,7a,11,11b,12,13,13a,13b-tetradecahydrocyclopenta[a]chrysen-9-yl]benzoate;N',N'-dimethylethane-1,2-diamine;oxalyl dichloride (CID 158258344) is 4-[(1R,3aS,5aR,5bR,7aR,11aS,11bR,13aR,13bS)-3a-[2-(dimethylamino)ethylcarbamoyl]-1-[3-[(4-methoxy-4-oxobutanoyl)-methylamino]prop-1-en-2-yl]-5a,5b,8,8,11a-pentamethyl-1,2,3,4,5,6,7,7a,11,11b,12,13,13a,13b-tetradecahydrocyclopenta[a]chrysen-9-yl]benzoic acid;(1R,3aS,5aR,5bR,7aR,11aS,11bR,13aR,13bS)-1-[3-[(4-methoxy-4-oxobutanoyl)-methylamino]prop-1-en-2-yl]-5a,5b,8,8,11a-pentamethyl-9-[4-[(2-methylpropan-2-yl)oxycarbonyl]phenyl]-1,2,3,4,5,6,7,7a,11,11b,12,13,13a,13b-tetradecahydrocyclopenta[a]chrysene-3a-carboxylic acid;tert-butyl 4-[(1R,3aS,5aR,5bR,7aR,11aS,11bR,13aR,13bS)-3a-[2-(dimethylamino)ethylcarbamoyl]-1-[3-[(4-methoxy-4-oxobutanoyl)-methylamino]prop-1-en-2-yl]-5a,5b,8,8,11a-pentamethyl-1,2,3,4,5,6,7,7a,11,11b,12,13,13a,13b-tetradecahydrocyclopenta[a]chrysen-9-yl]benzoate;N',N'-dimethylethane-1,2-diamine;oxalyl dichloride.

What is the SMILES notation for 4-[(1R,3aS,5aR,5bR,7aR,11aS,11bR,13aR,13bS)-3a-[2-(dimethylamino)ethylcarbamoyl]-1-[3-[(4-methoxy-4-oxobutanoyl)-methylamino]prop-1-en-2-yl]-5a,5b,8,8,11a-pentamethyl-1,2,3,4,5,6,7,7a,11,11b,12,13,13a,13b-tetradecahydrocyclopenta[a]chrysen-9-yl]benzoic acid;(1R,3aS,5aR,5bR,7aR,11aS,11bR,13aR,13bS)-1-[3-[(4-methoxy-4-oxobutanoyl)-methylamino]prop-1-en-2-yl]-5a,5b,8,8,11a-pentamethyl-9-[4-[(2-methylpropan-2-yl)oxycarbonyl]phenyl]-1,2,3,4,5,6,7,7a,11,11b,12,13,13a,13b-tetradecahydrocyclopenta[a]chrysene-3a-carboxylic acid;tert-butyl 4-[(1R,3aS,5aR,5bR,7aR,11aS,11bR,13aR,13bS)-3a-[2-(dimethylamino)ethylcarbamoyl]-1-[3-[(4-methoxy-4-oxobutanoyl)-methylamino]prop-1-en-2-yl]-5a,5b,8,8,11a-pentamethyl-1,2,3,4,5,6,7,7a,11,11b,12,13,13a,13b-tetradecahydrocyclopenta[a]chrysen-9-yl]benzoate;N',N'-dimethylethane-1,2-diamine;oxalyl dichloride?

The canonical SMILES for 4-[(1R,3aS,5aR,5bR,7aR,11aS,11bR,13aR,13bS)-3a-[2-(dimethylamino)ethylcarbamoyl]-1-[3-[(4-methoxy-4-oxobutanoyl)-methylamino]prop-1-en-2-yl]-5a,5b,8,8,11a-pentamethyl-1,2,3,4,5,6,7,7a,11,11b,12,13,13a,13b-tetradecahydrocyclopenta[a]chrysen-9-yl]benzoic acid;(1R,3aS,5aR,5bR,7aR,11aS,11bR,13aR,13bS)-1-[3-[(4-methoxy-4-oxobutanoyl)-methylamino]prop-1-en-2-yl]-5a,5b,8,8,11a-pentamethyl-9-[4-[(2-methylpropan-2-yl)oxycarbonyl]phenyl]-1,2,3,4,5,6,7,7a,11,11b,12,13,13a,13b-tetradecahydrocyclopenta[a]chrysene-3a-carboxylic acid;tert-butyl 4-[(1R,3aS,5aR,5bR,7aR,11aS,11bR,13aR,13bS)-3a-[2-(dimethylamino)ethylcarbamoyl]-1-[3-[(4-methoxy-4-oxobutanoyl)-methylamino]prop-1-en-2-yl]-5a,5b,8,8,11a-pentamethyl-1,2,3,4,5,6,7,7a,11,11b,12,13,13a,13b-tetradecahydrocyclopenta[a]chrysen-9-yl]benzoate;N',N'-dimethylethane-1,2-diamine;oxalyl dichloride is C=C(CN(C)C(=O)CCC(=O)OC)[C@@H]1CC[C@]2(C(=O)NCCN(C)C)CC[C@]3(C)[C@H](CC[C@@H]4[C@@]5(C)CC=C(c6ccc(C(=O)O)cc6)C(C)(C)[C@@H]5CC[C@]43C)[C@@H]12.C=C(CN(C)C(=O)CCC(=O)OC)[C@@H]1CC[C@]2(C(=O)NCCN(C)C)CC[C@]3(C)[C@H](CC[C@@H]4[C@@]5(C)CC=C(c6ccc(C(=O)OC(C)(C)C)cc6)C(C)(C)[C@@H]5CC[C@]43C)[C@@H]12.C=C(CN(C)C(=O)CCC(=O)OC)[C@@H]1CC[C@]2(C(=O)O)CC[C@]3(C)[C@H](CC[C@@H]4[C@@]5(C)CC=C(c6ccc(C(=O)OC(C)(C)C)cc6)C(C)(C)[C@@H]5CC[C@]43C)[C@@H]12.CN(C)CCN.O=C(Cl)C(=O)Cl.

What is the InChIKey of 4-[(1R,3aS,5aR,5bR,7aR,11aS,11bR,13aR,13bS)-3a-[2-(dimethylamino)ethylcarbamoyl]-1-[3-[(4-methoxy-4-oxobutanoyl)-methylamino]prop-1-en-2-yl]-5a,5b,8,8,11a-pentamethyl-1,2,3,4,5,6,7,7a,11,11b,12,13,13a,13b-tetradecahydrocyclopenta[a]chrysen-9-yl]benzoic acid;(1R,3aS,5aR,5bR,7aR,11aS,11bR,13aR,13bS)-1-[3-[(4-methoxy-4-oxobutanoyl)-methylamino]prop-1-en-2-yl]-5a,5b,8,8,11a-pentamethyl-9-[4-[(2-methylpropan-2-yl)oxycarbonyl]phenyl]-1,2,3,4,5,6,7,7a,11,11b,12,13,13a,13b-tetradecahydrocyclopenta[a]chrysene-3a-carboxylic acid;tert-butyl 4-[(1R,3aS,5aR,5bR,7aR,11aS,11bR,13aR,13bS)-3a-[2-(dimethylamino)ethylcarbamoyl]-1-[3-[(4-methoxy-4-oxobutanoyl)-methylamino]prop-1-en-2-yl]-5a,5b,8,8,11a-pentamethyl-1,2,3,4,5,6,7,7a,11,11b,12,13,13a,13b-tetradecahydrocyclopenta[a]chrysen-9-yl]benzoate;N',N'-dimethylethane-1,2-diamine;oxalyl dichloride?

The InChIKey is GHOFUULDOBTBOH-NLNAUEDZSA-N. The full InChI is InChI=1S/C51H77N3O6.C47H69N3O6.C47H67NO7.C4H12N2.C2Cl2O2/c1-33(32-54(12)41(55)20-21-42(56)59-13)36-22-27-51(45(58)52-30-31-53(10)11)29-28-49(8)38(43(36)51)18-19-40-48(7)25-23-37(47(5,6)39(48)24-26-50(40,49)9)34-14-16-35(17-15-34)44(57)60-46(2,3)4;1-30(29-50(9)38(51)17-18-39(52)56-10)33-19-24-47(42(55)48-27-28-49(7)8)26-25-45(5)35(40(33)47)15-16-37-44(4)22-20-34(31-11-13-32(14-12-31)41(53)54)43(2,3)36(44)21-23-46(37,45)6;1-29(28-48(10)37(49)18-19-38(50)54-11)32-20-25-47(41(52)53)27-26-45(8)34(39(32)47)16-17-36-44(7)23-21-33(43(5,6)35(44)22-24-46(36,45)9)30-12-14-31(15-13-30)40(51)55-42(2,3)4;1-6(2)4-3-5;3-1(5)2(4)6/h14-17,23,36,38-40,43H,1,18-22,24-32H2,2-13H3,(H,52,58);11-14,20,33,35-37,40H,1,15-19,21-29H2,2-10H3,(H,48,55)(H,53,54);12-15,21,32,34-36,39H,1,16-20,22-28H2,2-11H3,(H,52,53);3-5H2,1-2H3;/t36-,38+,39-,40+,43+,48-,49+,50+,51-;33-,35+,36-,37+,40+,44-,45+,46+,47-;32-,34+,35-,36+,39+,44-,45+,46+,47-;;/m000../s1.

What are the key properties of 4-[(1R,3aS,5aR,5bR,7aR,11aS,11bR,13aR,13bS)-3a-[2-(dimethylamino)ethylcarbamoyl]-1-[3-[(4-methoxy-4-oxobutanoyl)-methylamino]prop-1-en-2-yl]-5a,5b,8,8,11a-pentamethyl-1,2,3,4,5,6,7,7a,11,11b,12,13,13a,13b-tetradecahydrocyclopenta[a]chrysen-9-yl]benzoic acid;(1R,3aS,5aR,5bR,7aR,11aS,11bR,13aR,13bS)-1-[3-[(4-methoxy-4-oxobutanoyl)-methylamino]prop-1-en-2-yl]-5a,5b,8,8,11a-pentamethyl-9-[4-[(2-methylpropan-2-yl)oxycarbonyl]phenyl]-1,2,3,4,5,6,7,7a,11,11b,12,13,13a,13b-tetradecahydrocyclopenta[a]chrysene-3a-carboxylic acid;tert-butyl 4-[(1R,3aS,5aR,5bR,7aR,11aS,11bR,13aR,13bS)-3a-[2-(dimethylamino)ethylcarbamoyl]-1-[3-[(4-methoxy-4-oxobutanoyl)-methylamino]prop-1-en-2-yl]-5a,5b,8,8,11a-pentamethyl-1,2,3,4,5,6,7,7a,11,11b,12,13,13a,13b-tetradecahydrocyclopenta[a]chrysen-9-yl]benzoate;N',N'-dimethylethane-1,2-diamine;oxalyl dichloride?

4-[(1R,3aS,5aR,5bR,7aR,11aS,11bR,13aR,13bS)-3a-[2-(dimethylamino)ethylcarbamoyl]-1-[3-[(4-methoxy-4-oxobutanoyl)-methylamino]prop-1-en-2-yl]-5a,5b,8,8,11a-pentamethyl-1,2,3,4,5,6,7,7a,11,11b,12,13,13a,13b-tetradecahydrocyclopenta[a]chrysen-9-yl]benzoic acid;(1R,3aS,5aR,5bR,7aR,11aS,11bR,13aR,13bS)-1-[3-[(4-methoxy-4-oxobutanoyl)-methylamino]prop-1-en-2-yl]-5a,5b,8,8,11a-pentamethyl-9-[4-[(2-methylpropan-2-yl)oxycarbonyl]phenyl]-1,2,3,4,5,6,7,7a,11,11b,12,13,13a,13b-tetradecahydrocyclopenta[a]chrysene-3a-carboxylic acid;tert-butyl 4-[(1R,3aS,5aR,5bR,7aR,11aS,11bR,13aR,13bS)-3a-[2-(dimethylamino)ethylcarbamoyl]-1-[3-[(4-methoxy-4-oxobutanoyl)-methylamino]prop-1-en-2-yl]-5a,5b,8,8,11a-pentamethyl-1,2,3,4,5,6,7,7a,11,11b,12,13,13a,13b-tetradecahydrocyclopenta[a]chrysen-9-yl]benzoate;N',N'-dimethylethane-1,2-diamine;oxalyl dichloride has a molecular weight of 2573.41 g/mol, XLogP of 27.26, 36 rotatable bonds, 5 hydrogen bond donors, and 23 hydrogen bond acceptors.

Where does this data come from?

All data for 4-[(1R,3aS,5aR,5bR,7aR,11aS,11bR,13aR,13bS)-3a-[2-(dimethylamino)ethylcarbamoyl]-1-[3-[(4-methoxy-4-oxobutanoyl)-methylamino]prop-1-en-2-yl]-5a,5b,8,8,11a-pentamethyl-1,2,3,4,5,6,7,7a,11,11b,12,13,13a,13b-tetradecahydrocyclopenta[a]chrysen-9-yl]benzoic acid;(1R,3aS,5aR,5bR,7aR,11aS,11bR,13aR,13bS)-1-[3-[(4-methoxy-4-oxobutanoyl)-methylamino]prop-1-en-2-yl]-5a,5b,8,8,11a-pentamethyl-9-[4-[(2-methylpropan-2-yl)oxycarbonyl]phenyl]-1,2,3,4,5,6,7,7a,11,11b,12,13,13a,13b-tetradecahydrocyclopenta[a]chrysene-3a-carboxylic acid;tert-butyl 4-[(1R,3aS,5aR,5bR,7aR,11aS,11bR,13aR,13bS)-3a-[2-(dimethylamino)ethylcarbamoyl]-1-[3-[(4-methoxy-4-oxobutanoyl)-methylamino]prop-1-en-2-yl]-5a,5b,8,8,11a-pentamethyl-1,2,3,4,5,6,7,7a,11,11b,12,13,13a,13b-tetradecahydrocyclopenta[a]chrysen-9-yl]benzoate;N',N'-dimethylethane-1,2-diamine;oxalyl dichloride is sourced from PubChem (CID 158258344), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).