(10S,13S,16S,17S)-16-ethyl-17-(2-hydroxyacetyl)-10,13,17-trimethyl-7,8,12,14,15,16-hexahydro-6H-cyclopenta[a]phenanthren-3-one;[2-[(10S,13S,16R,17R)-16-ethyl-17-hydroxy-10,13-dimethyl-3-oxo-7,8,12,14,15,16-hexahydro-6H-cyclopenta[a]phenanthren-17-yl]-2-oxoethyl] acetate;[2-[(10S,13S,16R,17R)-16-ethyl-17-hydroxy-10,13-dimethyl-3-oxo-2,6,7,8,12,14,15,16-octahydro-1H-cyclopenta[a]phenanthren-17-yl]-2-oxoethyl] acetate;(10S,13S,16S,17R)-16-ethyl-17-hydroxy-17-(2-hydroxyacetyl)-10,13-dimethyl-7,8,12,14,15,16-hexahydro-6H-cyclopenta[a]phenanthren-3-one;(10S,13S,16S,17R)-16-ethyl-17-hydroxy-17-(2-hydroxyacetyl)-10,13-dimethyl-2,6,7,8,12,14,15,16-octahydro-1H-cyclopenta[a]phenanthren-3-one;[2-[(10S,13S,16R,17S)-16-ethyl-10,13,17-trimethyl-3-oxo-7,8,12,14,15,16-hexahydro-6H-cyclopenta[a]phenanthren-17-yl]-2-oxoethyl] acetate;[2-[(10S,13S,16R,17S)-16-ethyl-10,13,17-trimethyl-3-oxo-2,6,7,8,12,14,15,16-octahydro-1H-cyclopenta[a]phenanthren-17-yl]-2-oxoethyl] acetate

C172H230O29 — CID 160525763

About (10S,13S,16S,17S)-16-ethyl-17-(2-hydroxyacetyl)-10,13,17-trimethyl-7,8,12,14,15,16-hexahydro-6H-cyclopenta[a]phenanthren-3-one;[2-[(10S,13S,16R,17R)-16-ethyl-17-hydroxy-10,13-dimethyl-3-oxo-7,8,12,14,15,16-hexahydro-6H-cyclopenta[a]phenanthren-17-yl]-2-oxoethyl] acetate;[2-[(10S,13S,16R,17R)-16-ethyl-17-hydroxy-10,13-dimethyl-3-oxo-2,6,7,8,12,14,15,16-octahydro-1H-cyclopenta[a]phenanthren-17-yl]-2-oxoethyl] acetate;(10S,13S,16S,17R)-16-ethyl-17-hydroxy-17-(2-hydroxyacetyl)-10,13-dimethyl-7,8,12,14,15,16-hexahydro-6H-cyclopenta[a]phenanthren-3-one;(10S,13S,16S,17R)-16-ethyl-17-hydroxy-17-(2-hydroxyacetyl)-10,13-dimethyl-2,6,7,8,12,14,15,16-octahydro-1H-cyclopenta[a]phenanthren-3-one;[2-[(10S,13S,16R,17S)-16-ethyl-10,13,17-trimethyl-3-oxo-7,8,12,14,15,16-hexahydro-6H-cyclopenta[a]phenanthren-17-yl]-2-oxoethyl] acetate;[2-[(10S,13S,16R,17S)-16-ethyl-10,13,17-trimethyl-3-oxo-2,6,7,8,12,14,15,16-octahydro-1H-cyclopenta[a]phenanthren-17-yl]-2-oxoethyl] acetate

(10S,13S,16S,17S)-16-ethyl-17-(2-hydroxyacetyl)-10,13,17-trimethyl-7,8,12,14,15,16-hexahydro-6H-cyclopenta[a]phenanthren-3-one;[2-[(10S,13S,16R,17R)-16-ethyl-17-hydroxy-10,13-dimethyl-3-oxo-7,8,12,14,15,16-hexahydro-6H-cyclopenta[a]phenanthren-17-yl]-2-oxoethyl] acetate;[2-[(10S,13S,16R,17R)-16-ethyl-17-hydroxy-10,13-dimethyl-3-oxo-2,6,7,8,12,14,15,16-octahydro-1H-cyclopenta[a]phenanthren-17-yl]-2-oxoethyl] acetate;(10S,13S,16S,17R)-16-ethyl-17-hydroxy-17-(2-hydroxyacetyl)-10,13-dimethyl-7,8,12,14,15,16-hexahydro-6H-cyclopenta[a]phenanthren-3-one;(10S,13S,16S,17R)-16-ethyl-17-hydroxy-17-(2-hydroxyacetyl)-10,13-dimethyl-2,6,7,8,12,14,15,16-octahydro-1H-cyclopenta[a]phenanthren-3-one;[2-[(10S,13S,16R,17S)-16-ethyl-10,13,17-trimethyl-3-oxo-7,8,12,14,15,16-hexahydro-6H-cyclopenta[a]phenanthren-17-yl]-2-oxoethyl] acetate;[2-[(10S,13S,16R,17S)-16-ethyl-10,13,17-trimethyl-3-oxo-2,6,7,8,12,14,15,16-octahydro-1H-cyclopenta[a]phenanthren-17-yl]-2-oxoethyl] acetate (PubChem CID 160525763) has the molecular formula C172H230O29 and a molecular weight of 2761.70 g/mol. Its IUPAC name is (10S,13S,16S,17S)-16-ethyl-17-(2-hydroxyacetyl)-10,13,17-trimethyl-7,8,12,14,15,16-hexahydro-6H-cyclopenta[a]phenanthren-3-one;[2-[(10S,13S,16R,17R)-16-ethyl-17-hydroxy-10,13-dimethyl-3-oxo-7,8,12,14,15,16-hexahydro-6H-cyclopenta[a]phenanthren-17-yl]-2-oxoethyl] acetate;[2-[(10S,13S,16R,17R)-16-ethyl-17-hydroxy-10,13-dimethyl-3-oxo-2,6,7,8,12,14,15,16-octahydro-1H-cyclopenta[a]phenanthren-17-yl]-2-oxoethyl] acetate;(10S,13S,16S,17R)-16-ethyl-17-hydroxy-17-(2-hydroxyacetyl)-10,13-dimethyl-7,8,12,14,15,16-hexahydro-6H-cyclopenta[a]phenanthren-3-one;(10S,13S,16S,17R)-16-ethyl-17-hydroxy-17-(2-hydroxyacetyl)-10,13-dimethyl-2,6,7,8,12,14,15,16-octahydro-1H-cyclopenta[a]phenanthren-3-one;[2-[(10S,13S,16R,17S)-16-ethyl-10,13,17-trimethyl-3-oxo-7,8,12,14,15,16-hexahydro-6H-cyclopenta[a]phenanthren-17-yl]-2-oxoethyl] acetate;[2-[(10S,13S,16R,17S)-16-ethyl-10,13,17-trimethyl-3-oxo-2,6,7,8,12,14,15,16-octahydro-1H-cyclopenta[a]phenanthren-17-yl]-2-oxoethyl] acetate.

Molecular Properties

• Compound Name: (10S,13S,16S,17S)-16-ethyl-17-(2-hydroxyacetyl)-10,13,17-trimethyl-7,8,12,14,15,16-hexahydro-6H-cyclopenta[a]phenanthren-3-one;[2-[(10S,13S,16R,17R)-16-ethyl-17-hydroxy-10,13-dimethyl-3-oxo-7,8,12,14,15,16-hexahydro-6H-cyclopenta[a]phenanthren-17-yl]-2-oxoethyl] acetate;[2-[(10S,13S,16R,17R)-16-ethyl-17-hydroxy-10,13-dimethyl-3-oxo-2,6,7,8,12,14,15,16-octahydro-1H-cyclopenta[a]phenanthren-17-yl]-2-oxoethyl] acetate;(10S,13S,16S,17R)-16-ethyl-17-hydroxy-17-(2-hydroxyacetyl)-10,13-dimethyl-7,8,12,14,15,16-hexahydro-6H-cyclopenta[a]phenanthren-3-one;(10S,13S,16S,17R)-16-ethyl-17-hydroxy-17-(2-hydroxyacetyl)-10,13-dimethyl-2,6,7,8,12,14,15,16-octahydro-1H-cyclopenta[a]phenanthren-3-one;[2-[(10S,13S,16R,17S)-16-ethyl-10,13,17-trimethyl-3-oxo-7,8,12,14,15,16-hexahydro-6H-cyclopenta[a]phenanthren-17-yl]-2-oxoethyl] acetate;[2-[(10S,13S,16R,17S)-16-ethyl-10,13,17-trimethyl-3-oxo-2,6,7,8,12,14,15,16-octahydro-1H-cyclopenta[a]phenanthren-17-yl]-2-oxoethyl] acetate
• PubChem CID: 160525763
• Molecular Formula: C172H230O29
• Molecular Weight: 2761.70 g/mol
• Exact Mass: 2759.65
• IUPAC Name: (10S,13S,16S,17S)-16-ethyl-17-(2-hydroxyacetyl)-10,13,17-trimethyl-7,8,12,14,15,16-hexahydro-6H-cyclopenta[a]phenanthren-3-one;[2-[(10S,13S,16R,17R)-16-ethyl-17-hydroxy-10,13-dimethyl-3-oxo-7,8,12,14,15,16-hexahydro-6H-cyclopenta[a]phenanthren-17-yl]-2-oxoethyl] acetate;[2-[(10S,13S,16R,17R)-16-ethyl-17-hydroxy-10,13-dimethyl-3-oxo-2,6,7,8,12,14,15,16-octahydro-1H-cyclopenta[a]phenanthren-17-yl]-2-oxoethyl] acetate;(10S,13S,16S,17R)-16-ethyl-17-hydroxy-17-(2-hydroxyacetyl)-10,13-dimethyl-7,8,12,14,15,16-hexahydro-6H-cyclopenta[a]phenanthren-3-one;(10S,13S,16S,17R)-16-ethyl-17-hydroxy-17-(2-hydroxyacetyl)-10,13-dimethyl-2,6,7,8,12,14,15,16-octahydro-1H-cyclopenta[a]phenanthren-3-one;[2-[(10S,13S,16R,17S)-16-ethyl-10,13,17-trimethyl-3-oxo-7,8,12,14,15,16-hexahydro-6H-cyclopenta[a]phenanthren-17-yl]-2-oxoethyl] acetate;[2-[(10S,13S,16R,17S)-16-ethyl-10,13,17-trimethyl-3-oxo-2,6,7,8,12,14,15,16-octahydro-1H-cyclopenta[a]phenanthren-17-yl]-2-oxoethyl] acetate
• SMILES: CC[C@@H]1CC2C3CCC4=CC(=O)C=C[C@]4(C)C3=CC[C@]2(C)[C@@]1(C)C(=O)COC(C)=O.CC[C@@H]1CC2C3CCC4=CC(=O)C=C[C@]4(C)C3=CC[C@]2(C)[C@@]1(O)C(=O)COC(C)=O.CC[C@@H]1CC2C3CCC4=CC(=O)CC[C@]4(C)C3=CC[C@]2(C)[C@@]1(C)C(=O)COC(C)=O.CC[C@@H]1CC2C3CCC4=CC(=O)CC[C@]4(C)C3=CC[C@]2(C)[C@@]1(O)C(=O)COC(C)=O.CC[C@H]1CC2C3CCC4=CC(=O)C=C[C@]4(C)C3=CC[C@]2(C)[C@@]1(C)C(=O)CO.CC[C@H]1CC2C3CCC4=CC(=O)C=C[C@]4(C)C3=CC[C@]2(C)[C@@]1(O)C(=O)CO.CC[C@H]1CC2C3CCC4=CC(=O)CC[C@]4(C)C3=CC[C@]2(C)[C@@]1(O)C(=O)CO
• InChI: InChI=1S/C26H36O4.C26H34O4.C25H34O5.C25H32O5.C24H32O3.C23H32O4.C23H30O4/c2*1-6-17-14-22-20-8-7-18-13-19(28)9-11-24(18,3)21(20)10-12-25(22,4)26(17,5)23(29)15-30-16(2)27;2*1-5-16-13-21-19-7-6-17-12-18(27)8-10-23(17,3)20(19)9-11-24(21,4)25(16,29)22(28)14-30-15(2)26;1-5-15-13-20-18-7-6-16-12-17(26)8-10-22(16,2)19(18)9-11-23(20,3)24(15,4)21(27)14-25;2*1-4-14-12-19-17-6-5-15-11-16(25)7-9-21(15,2)18(17)8-10-22(19,3)23(14,27)20(26)13-24/h10,13,17,20,22H,6-9,11-12,14-15H2,1-5H3;9-11,13,17,20,22H,6-8,12,14-15H2,1-5H3;9,12,16,19,21,29H,5-8,10-11,13-14H2,1-4H3;8-10,12,16,19,21,29H,5-7,11,13-14H2,1-4H3;8-10,12,15,18,20,25H,5-7,11,13-14H2,1-4H3;8,11,14,17,19,24,27H,4-7,9-10,12-13H2,1-3H3;7-9,11,14,17,19,24,27H,4-6,10,12-13H2,1-3H3/t2*17-,20?,22?,24+,25+,26-;2*16-,19?,21?,23+,24+,25+;15-,18?,20?,22-,23-,24+;2*14-,17?,19?,21-,22-,23-/m1111000/s1
• InChIKey: QUWDOAUSNCQLHR-VXJVOJIKSA-N
• XLogP: 28.78
• TPSA: 485.79 Ų
• H-Bond Donors: 7
• H-Bond Acceptors: 29
• Rotatable Bonds: 25
• Heavy Atoms: 201
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2761.70
LogP ≤ 5	28.78
H-Bond Donors ≤ 5	7
H-Bond Acceptors ≤ 10	29

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of (10S,13S,16S,17S)-16-ethyl-17-(2-hydroxyacetyl)-10,13,17-trimethyl-7,8,12,14,15,16-hexahydro-6H-cyclopenta[a]phenanthren-3-one;[2-[(10S,13S,16R,17R)-16-ethyl-17-hydroxy-10,13-dimethyl-3-oxo-7,8,12,14,15,16-hexahydro-6H-cyclopenta[a]phenanthren-17-yl]-2-oxoethyl] acetate;[2-[(10S,13S,16R,17R)-16-ethyl-17-hydroxy-10,13-dimethyl-3-oxo-2,6,7,8,12,14,15,16-octahydro-1H-cyclopenta[a]phenanthren-17-yl]-2-oxoethyl] acetate;(10S,13S,16S,17R)-16-ethyl-17-hydroxy-17-(2-hydroxyacetyl)-10,13-dimethyl-7,8,12,14,15,16-hexahydro-6H-cyclopenta[a]phenanthren-3-one;(10S,13S,16S,17R)-16-ethyl-17-hydroxy-17-(2-hydroxyacetyl)-10,13-dimethyl-2,6,7,8,12,14,15,16-octahydro-1H-cyclopenta[a]phenanthren-3-one;[2-[(10S,13S,16R,17S)-16-ethyl-10,13,17-trimethyl-3-oxo-7,8,12,14,15,16-hexahydro-6H-cyclopenta[a]phenanthren-17-yl]-2-oxoethyl] acetate;[2-[(10S,13S,16R,17S)-16-ethyl-10,13,17-trimethyl-3-oxo-2,6,7,8,12,14,15,16-octahydro-1H-cyclopenta[a]phenanthren-17-yl]-2-oxoethyl] acetate?

The IUPAC name of (10S,13S,16S,17S)-16-ethyl-17-(2-hydroxyacetyl)-10,13,17-trimethyl-7,8,12,14,15,16-hexahydro-6H-cyclopenta[a]phenanthren-3-one;[2-[(10S,13S,16R,17R)-16-ethyl-17-hydroxy-10,13-dimethyl-3-oxo-7,8,12,14,15,16-hexahydro-6H-cyclopenta[a]phenanthren-17-yl]-2-oxoethyl] acetate;[2-[(10S,13S,16R,17R)-16-ethyl-17-hydroxy-10,13-dimethyl-3-oxo-2,6,7,8,12,14,15,16-octahydro-1H-cyclopenta[a]phenanthren-17-yl]-2-oxoethyl] acetate;(10S,13S,16S,17R)-16-ethyl-17-hydroxy-17-(2-hydroxyacetyl)-10,13-dimethyl-7,8,12,14,15,16-hexahydro-6H-cyclopenta[a]phenanthren-3-one;(10S,13S,16S,17R)-16-ethyl-17-hydroxy-17-(2-hydroxyacetyl)-10,13-dimethyl-2,6,7,8,12,14,15,16-octahydro-1H-cyclopenta[a]phenanthren-3-one;[2-[(10S,13S,16R,17S)-16-ethyl-10,13,17-trimethyl-3-oxo-7,8,12,14,15,16-hexahydro-6H-cyclopenta[a]phenanthren-17-yl]-2-oxoethyl] acetate;[2-[(10S,13S,16R,17S)-16-ethyl-10,13,17-trimethyl-3-oxo-2,6,7,8,12,14,15,16-octahydro-1H-cyclopenta[a]phenanthren-17-yl]-2-oxoethyl] acetate (CID 160525763) is (10S,13S,16S,17S)-16-ethyl-17-(2-hydroxyacetyl)-10,13,17-trimethyl-7,8,12,14,15,16-hexahydro-6H-cyclopenta[a]phenanthren-3-one;[2-[(10S,13S,16R,17R)-16-ethyl-17-hydroxy-10,13-dimethyl-3-oxo-7,8,12,14,15,16-hexahydro-6H-cyclopenta[a]phenanthren-17-yl]-2-oxoethyl] acetate;[2-[(10S,13S,16R,17R)-16-ethyl-17-hydroxy-10,13-dimethyl-3-oxo-2,6,7,8,12,14,15,16-octahydro-1H-cyclopenta[a]phenanthren-17-yl]-2-oxoethyl] acetate;(10S,13S,16S,17R)-16-ethyl-17-hydroxy-17-(2-hydroxyacetyl)-10,13-dimethyl-7,8,12,14,15,16-hexahydro-6H-cyclopenta[a]phenanthren-3-one;(10S,13S,16S,17R)-16-ethyl-17-hydroxy-17-(2-hydroxyacetyl)-10,13-dimethyl-2,6,7,8,12,14,15,16-octahydro-1H-cyclopenta[a]phenanthren-3-one;[2-[(10S,13S,16R,17S)-16-ethyl-10,13,17-trimethyl-3-oxo-7,8,12,14,15,16-hexahydro-6H-cyclopenta[a]phenanthren-17-yl]-2-oxoethyl] acetate;[2-[(10S,13S,16R,17S)-16-ethyl-10,13,17-trimethyl-3-oxo-2,6,7,8,12,14,15,16-octahydro-1H-cyclopenta[a]phenanthren-17-yl]-2-oxoethyl] acetate.

What is the SMILES notation for (10S,13S,16S,17S)-16-ethyl-17-(2-hydroxyacetyl)-10,13,17-trimethyl-7,8,12,14,15,16-hexahydro-6H-cyclopenta[a]phenanthren-3-one;[2-[(10S,13S,16R,17R)-16-ethyl-17-hydroxy-10,13-dimethyl-3-oxo-7,8,12,14,15,16-hexahydro-6H-cyclopenta[a]phenanthren-17-yl]-2-oxoethyl] acetate;[2-[(10S,13S,16R,17R)-16-ethyl-17-hydroxy-10,13-dimethyl-3-oxo-2,6,7,8,12,14,15,16-octahydro-1H-cyclopenta[a]phenanthren-17-yl]-2-oxoethyl] acetate;(10S,13S,16S,17R)-16-ethyl-17-hydroxy-17-(2-hydroxyacetyl)-10,13-dimethyl-7,8,12,14,15,16-hexahydro-6H-cyclopenta[a]phenanthren-3-one;(10S,13S,16S,17R)-16-ethyl-17-hydroxy-17-(2-hydroxyacetyl)-10,13-dimethyl-2,6,7,8,12,14,15,16-octahydro-1H-cyclopenta[a]phenanthren-3-one;[2-[(10S,13S,16R,17S)-16-ethyl-10,13,17-trimethyl-3-oxo-7,8,12,14,15,16-hexahydro-6H-cyclopenta[a]phenanthren-17-yl]-2-oxoethyl] acetate;[2-[(10S,13S,16R,17S)-16-ethyl-10,13,17-trimethyl-3-oxo-2,6,7,8,12,14,15,16-octahydro-1H-cyclopenta[a]phenanthren-17-yl]-2-oxoethyl] acetate?

The canonical SMILES for (10S,13S,16S,17S)-16-ethyl-17-(2-hydroxyacetyl)-10,13,17-trimethyl-7,8,12,14,15,16-hexahydro-6H-cyclopenta[a]phenanthren-3-one;[2-[(10S,13S,16R,17R)-16-ethyl-17-hydroxy-10,13-dimethyl-3-oxo-7,8,12,14,15,16-hexahydro-6H-cyclopenta[a]phenanthren-17-yl]-2-oxoethyl] acetate;[2-[(10S,13S,16R,17R)-16-ethyl-17-hydroxy-10,13-dimethyl-3-oxo-2,6,7,8,12,14,15,16-octahydro-1H-cyclopenta[a]phenanthren-17-yl]-2-oxoethyl] acetate;(10S,13S,16S,17R)-16-ethyl-17-hydroxy-17-(2-hydroxyacetyl)-10,13-dimethyl-7,8,12,14,15,16-hexahydro-6H-cyclopenta[a]phenanthren-3-one;(10S,13S,16S,17R)-16-ethyl-17-hydroxy-17-(2-hydroxyacetyl)-10,13-dimethyl-2,6,7,8,12,14,15,16-octahydro-1H-cyclopenta[a]phenanthren-3-one;[2-[(10S,13S,16R,17S)-16-ethyl-10,13,17-trimethyl-3-oxo-7,8,12,14,15,16-hexahydro-6H-cyclopenta[a]phenanthren-17-yl]-2-oxoethyl] acetate;[2-[(10S,13S,16R,17S)-16-ethyl-10,13,17-trimethyl-3-oxo-2,6,7,8,12,14,15,16-octahydro-1H-cyclopenta[a]phenanthren-17-yl]-2-oxoethyl] acetate is CC[C@@H]1CC2C3CCC4=CC(=O)C=C[C@]4(C)C3=CC[C@]2(C)[C@@]1(C)C(=O)COC(C)=O.CC[C@@H]1CC2C3CCC4=CC(=O)C=C[C@]4(C)C3=CC[C@]2(C)[C@@]1(O)C(=O)COC(C)=O.CC[C@@H]1CC2C3CCC4=CC(=O)CC[C@]4(C)C3=CC[C@]2(C)[C@@]1(C)C(=O)COC(C)=O.CC[C@@H]1CC2C3CCC4=CC(=O)CC[C@]4(C)C3=CC[C@]2(C)[C@@]1(O)C(=O)COC(C)=O.CC[C@H]1CC2C3CCC4=CC(=O)C=C[C@]4(C)C3=CC[C@]2(C)[C@@]1(C)C(=O)CO.CC[C@H]1CC2C3CCC4=CC(=O)C=C[C@]4(C)C3=CC[C@]2(C)[C@@]1(O)C(=O)CO.CC[C@H]1CC2C3CCC4=CC(=O)CC[C@]4(C)C3=CC[C@]2(C)[C@@]1(O)C(=O)CO.

What is the InChIKey of (10S,13S,16S,17S)-16-ethyl-17-(2-hydroxyacetyl)-10,13,17-trimethyl-7,8,12,14,15,16-hexahydro-6H-cyclopenta[a]phenanthren-3-one;[2-[(10S,13S,16R,17R)-16-ethyl-17-hydroxy-10,13-dimethyl-3-oxo-7,8,12,14,15,16-hexahydro-6H-cyclopenta[a]phenanthren-17-yl]-2-oxoethyl] acetate;[2-[(10S,13S,16R,17R)-16-ethyl-17-hydroxy-10,13-dimethyl-3-oxo-2,6,7,8,12,14,15,16-octahydro-1H-cyclopenta[a]phenanthren-17-yl]-2-oxoethyl] acetate;(10S,13S,16S,17R)-16-ethyl-17-hydroxy-17-(2-hydroxyacetyl)-10,13-dimethyl-7,8,12,14,15,16-hexahydro-6H-cyclopenta[a]phenanthren-3-one;(10S,13S,16S,17R)-16-ethyl-17-hydroxy-17-(2-hydroxyacetyl)-10,13-dimethyl-2,6,7,8,12,14,15,16-octahydro-1H-cyclopenta[a]phenanthren-3-one;[2-[(10S,13S,16R,17S)-16-ethyl-10,13,17-trimethyl-3-oxo-7,8,12,14,15,16-hexahydro-6H-cyclopenta[a]phenanthren-17-yl]-2-oxoethyl] acetate;[2-[(10S,13S,16R,17S)-16-ethyl-10,13,17-trimethyl-3-oxo-2,6,7,8,12,14,15,16-octahydro-1H-cyclopenta[a]phenanthren-17-yl]-2-oxoethyl] acetate?

The InChIKey is QUWDOAUSNCQLHR-VXJVOJIKSA-N. The full InChI is InChI=1S/C26H36O4.C26H34O4.C25H34O5.C25H32O5.C24H32O3.C23H32O4.C23H30O4/c2*1-6-17-14-22-20-8-7-18-13-19(28)9-11-24(18,3)21(20)10-12-25(22,4)26(17,5)23(29)15-30-16(2)27;2*1-5-16-13-21-19-7-6-17-12-18(27)8-10-23(17,3)20(19)9-11-24(21,4)25(16,29)22(28)14-30-15(2)26;1-5-15-13-20-18-7-6-16-12-17(26)8-10-22(16,2)19(18)9-11-23(20,3)24(15,4)21(27)14-25;2*1-4-14-12-19-17-6-5-15-11-16(25)7-9-21(15,2)18(17)8-10-22(19,3)23(14,27)20(26)13-24/h10,13,17,20,22H,6-9,11-12,14-15H2,1-5H3;9-11,13,17,20,22H,6-8,12,14-15H2,1-5H3;9,12,16,19,21,29H,5-8,10-11,13-14H2,1-4H3;8-10,12,16,19,21,29H,5-7,11,13-14H2,1-4H3;8-10,12,15,18,20,25H,5-7,11,13-14H2,1-4H3;8,11,14,17,19,24,27H,4-7,9-10,12-13H2,1-3H3;7-9,11,14,17,19,24,27H,4-6,10,12-13H2,1-3H3/t2*17-,20?,22?,24+,25+,26-;2*16-,19?,21?,23+,24+,25+;15-,18?,20?,22-,23-,24+;2*14-,17?,19?,21-,22-,23-/m1111000/s1.

What are the key properties of (10S,13S,16S,17S)-16-ethyl-17-(2-hydroxyacetyl)-10,13,17-trimethyl-7,8,12,14,15,16-hexahydro-6H-cyclopenta[a]phenanthren-3-one;[2-[(10S,13S,16R,17R)-16-ethyl-17-hydroxy-10,13-dimethyl-3-oxo-7,8,12,14,15,16-hexahydro-6H-cyclopenta[a]phenanthren-17-yl]-2-oxoethyl] acetate;[2-[(10S,13S,16R,17R)-16-ethyl-17-hydroxy-10,13-dimethyl-3-oxo-2,6,7,8,12,14,15,16-octahydro-1H-cyclopenta[a]phenanthren-17-yl]-2-oxoethyl] acetate;(10S,13S,16S,17R)-16-ethyl-17-hydroxy-17-(2-hydroxyacetyl)-10,13-dimethyl-7,8,12,14,15,16-hexahydro-6H-cyclopenta[a]phenanthren-3-one;(10S,13S,16S,17R)-16-ethyl-17-hydroxy-17-(2-hydroxyacetyl)-10,13-dimethyl-2,6,7,8,12,14,15,16-octahydro-1H-cyclopenta[a]phenanthren-3-one;[2-[(10S,13S,16R,17S)-16-ethyl-10,13,17-trimethyl-3-oxo-7,8,12,14,15,16-hexahydro-6H-cyclopenta[a]phenanthren-17-yl]-2-oxoethyl] acetate;[2-[(10S,13S,16R,17S)-16-ethyl-10,13,17-trimethyl-3-oxo-2,6,7,8,12,14,15,16-octahydro-1H-cyclopenta[a]phenanthren-17-yl]-2-oxoethyl] acetate?

(10S,13S,16S,17S)-16-ethyl-17-(2-hydroxyacetyl)-10,13,17-trimethyl-7,8,12,14,15,16-hexahydro-6H-cyclopenta[a]phenanthren-3-one;[2-[(10S,13S,16R,17R)-16-ethyl-17-hydroxy-10,13-dimethyl-3-oxo-7,8,12,14,15,16-hexahydro-6H-cyclopenta[a]phenanthren-17-yl]-2-oxoethyl] acetate;[2-[(10S,13S,16R,17R)-16-ethyl-17-hydroxy-10,13-dimethyl-3-oxo-2,6,7,8,12,14,15,16-octahydro-1H-cyclopenta[a]phenanthren-17-yl]-2-oxoethyl] acetate;(10S,13S,16S,17R)-16-ethyl-17-hydroxy-17-(2-hydroxyacetyl)-10,13-dimethyl-7,8,12,14,15,16-hexahydro-6H-cyclopenta[a]phenanthren-3-one;(10S,13S,16S,17R)-16-ethyl-17-hydroxy-17-(2-hydroxyacetyl)-10,13-dimethyl-2,6,7,8,12,14,15,16-octahydro-1H-cyclopenta[a]phenanthren-3-one;[2-[(10S,13S,16R,17S)-16-ethyl-10,13,17-trimethyl-3-oxo-7,8,12,14,15,16-hexahydro-6H-cyclopenta[a]phenanthren-17-yl]-2-oxoethyl] acetate;[2-[(10S,13S,16R,17S)-16-ethyl-10,13,17-trimethyl-3-oxo-2,6,7,8,12,14,15,16-octahydro-1H-cyclopenta[a]phenanthren-17-yl]-2-oxoethyl] acetate has a molecular weight of 2761.70 g/mol, XLogP of 28.78, 25 rotatable bonds, 7 hydrogen bond donors, and 29 hydrogen bond acceptors.

Where does this data come from?

All data for (10S,13S,16S,17S)-16-ethyl-17-(2-hydroxyacetyl)-10,13,17-trimethyl-7,8,12,14,15,16-hexahydro-6H-cyclopenta[a]phenanthren-3-one;[2-[(10S,13S,16R,17R)-16-ethyl-17-hydroxy-10,13-dimethyl-3-oxo-7,8,12,14,15,16-hexahydro-6H-cyclopenta[a]phenanthren-17-yl]-2-oxoethyl] acetate;[2-[(10S,13S,16R,17R)-16-ethyl-17-hydroxy-10,13-dimethyl-3-oxo-2,6,7,8,12,14,15,16-octahydro-1H-cyclopenta[a]phenanthren-17-yl]-2-oxoethyl] acetate;(10S,13S,16S,17R)-16-ethyl-17-hydroxy-17-(2-hydroxyacetyl)-10,13-dimethyl-7,8,12,14,15,16-hexahydro-6H-cyclopenta[a]phenanthren-3-one;(10S,13S,16S,17R)-16-ethyl-17-hydroxy-17-(2-hydroxyacetyl)-10,13-dimethyl-2,6,7,8,12,14,15,16-octahydro-1H-cyclopenta[a]phenanthren-3-one;[2-[(10S,13S,16R,17S)-16-ethyl-10,13,17-trimethyl-3-oxo-7,8,12,14,15,16-hexahydro-6H-cyclopenta[a]phenanthren-17-yl]-2-oxoethyl] acetate;[2-[(10S,13S,16R,17S)-16-ethyl-10,13,17-trimethyl-3-oxo-2,6,7,8,12,14,15,16-octahydro-1H-cyclopenta[a]phenanthren-17-yl]-2-oxoethyl] acetate is sourced from PubChem (CID 160525763), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).