ethyl (5R)-5-[(3S,8S,9S,10R,13R,14S,17R)-3-[dimethyl(propan-2-yl)silyl]oxy-10,13-dimethyl-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-17-yl]hexanoate

C32H56O3Si — CID 18649652

About ethyl (5R)-5-[(3S,8S,9S,10R,13R,14S,17R)-3-[dimethyl(propan-2-yl)silyl]oxy-10,13-dimethyl-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-17-yl]hexanoate

ethyl (5R)-5-[(3S,8S,9S,10R,13R,14S,17R)-3-[dimethyl(propan-2-yl)silyl]oxy-10,13-dimethyl-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-17-yl]hexanoate (PubChem CID 18649652) has the molecular formula C32H56O3Si and a molecular weight of 516.88 g/mol. Its IUPAC name is ethyl (5R)-5-[(3S,8S,9S,10R,13R,14S,17R)-3-[dimethyl(propan-2-yl)silyl]oxy-10,13-dimethyl-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-17-yl]hexanoate.

Molecular Properties

• Compound Name: ethyl (5R)-5-[(3S,8S,9S,10R,13R,14S,17R)-3-[dimethyl(propan-2-yl)silyl]oxy-10,13-dimethyl-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-17-yl]hexanoate
• PubChem CID: 18649652
• Molecular Formula: C32H56O3Si
• Molecular Weight: 516.88 g/mol
• Exact Mass: 516.40
• IUPAC Name: ethyl (5R)-5-[(3S,8S,9S,10R,13R,14S,17R)-3-[dimethyl(propan-2-yl)silyl]oxy-10,13-dimethyl-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-17-yl]hexanoate
• SMILES: CCOC(=O)CCC[C@@H](C)[C@H]1CC[C@H]2[C@@H]3CC=C4C[C@@H](O[Si](C)(C)C(C)C)CC[C@]4(C)[C@H]3CC[C@]12C
• InChI: InChI=1S/C32H56O3Si/c1-9-34-30(33)12-10-11-23(4)27-15-16-28-26-14-13-24-21-25(35-36(7,8)22(2)3)17-19-31(24,5)29(26)18-20-32(27,28)6/h13,22-23,25-29H,9-12,14-21H2,1-8H3/t23-,25+,26+,27-,28+,29+,31+,32-/m1/s1
• InChIKey: SEXXACLRCIBYJP-PTHRTHQKSA-N
• XLogP: 8.94
• TPSA: 35.53 Ų
• H-Bond Acceptors: 3
• Rotatable Bonds: 9
• Heavy Atoms: 36
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	516.88
LogP ≤ 5	8.94
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	3

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of ethyl (5R)-5-[(3S,8S,9S,10R,13R,14S,17R)-3-[dimethyl(propan-2-yl)silyl]oxy-10,13-dimethyl-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-17-yl]hexanoate?

The IUPAC name of ethyl (5R)-5-[(3S,8S,9S,10R,13R,14S,17R)-3-[dimethyl(propan-2-yl)silyl]oxy-10,13-dimethyl-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-17-yl]hexanoate (CID 18649652) is ethyl (5R)-5-[(3S,8S,9S,10R,13R,14S,17R)-3-[dimethyl(propan-2-yl)silyl]oxy-10,13-dimethyl-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-17-yl]hexanoate.

What is the SMILES notation for ethyl (5R)-5-[(3S,8S,9S,10R,13R,14S,17R)-3-[dimethyl(propan-2-yl)silyl]oxy-10,13-dimethyl-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-17-yl]hexanoate?

The canonical SMILES for ethyl (5R)-5-[(3S,8S,9S,10R,13R,14S,17R)-3-[dimethyl(propan-2-yl)silyl]oxy-10,13-dimethyl-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-17-yl]hexanoate is CCOC(=O)CCC[C@@H](C)[C@H]1CC[C@H]2[C@@H]3CC=C4C[C@@H](O[Si](C)(C)C(C)C)CC[C@]4(C)[C@H]3CC[C@]12C.

What is the InChIKey of ethyl (5R)-5-[(3S,8S,9S,10R,13R,14S,17R)-3-[dimethyl(propan-2-yl)silyl]oxy-10,13-dimethyl-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-17-yl]hexanoate?

The InChIKey is SEXXACLRCIBYJP-PTHRTHQKSA-N. The full InChI is InChI=1S/C32H56O3Si/c1-9-34-30(33)12-10-11-23(4)27-15-16-28-26-14-13-24-21-25(35-36(7,8)22(2)3)17-19-31(24,5)29(26)18-20-32(27,28)6/h13,22-23,25-29H,9-12,14-21H2,1-8H3/t23-,25+,26+,27-,28+,29+,31+,32-/m1/s1.

What are the key properties of ethyl (5R)-5-[(3S,8S,9S,10R,13R,14S,17R)-3-[dimethyl(propan-2-yl)silyl]oxy-10,13-dimethyl-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-17-yl]hexanoate?

ethyl (5R)-5-[(3S,8S,9S,10R,13R,14S,17R)-3-[dimethyl(propan-2-yl)silyl]oxy-10,13-dimethyl-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-17-yl]hexanoate has a molecular weight of 516.88 g/mol, XLogP of 8.94, 9 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for ethyl (5R)-5-[(3S,8S,9S,10R,13R,14S,17R)-3-[dimethyl(propan-2-yl)silyl]oxy-10,13-dimethyl-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-17-yl]hexanoate is sourced from PubChem (CID 18649652), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).