[(3R,5R,8S,9S,10S,11S,13S,14S,17S)-17-[(1S)-1,2-bis(trimethylsilyloxy)ethyl]-10,13-dimethyl-3-trimethylsilyloxy-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-11-yl]oxy-trimethylsilane

C33H68O4Si4 — CID 22211923

About [(3R,5R,8S,9S,10S,11S,13S,14S,17S)-17-[(1S)-1,2-bis(trimethylsilyloxy)ethyl]-10,13-dimethyl-3-trimethylsilyloxy-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-11-yl]oxy-trimethylsilane

[(3R,5R,8S,9S,10S,11S,13S,14S,17S)-17-[(1S)-1,2-bis(trimethylsilyloxy)ethyl]-10,13-dimethyl-3-trimethylsilyloxy-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-11-yl]oxy-trimethylsilane (PubChem CID 22211923) has the molecular formula C33H68O4Si4 and a molecular weight of 641.25 g/mol. Its IUPAC name is [(3R,5R,8S,9S,10S,11S,13S,14S,17S)-17-[(1S)-1,2-bis(trimethylsilyloxy)ethyl]-10,13-dimethyl-3-trimethylsilyloxy-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-11-yl]oxy-trimethylsilane.

Molecular Properties

• Compound Name: [(3R,5R,8S,9S,10S,11S,13S,14S,17S)-17-[(1S)-1,2-bis(trimethylsilyloxy)ethyl]-10,13-dimethyl-3-trimethylsilyloxy-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-11-yl]oxy-trimethylsilane
• PubChem CID: 22211923
• Molecular Formula: C33H68O4Si4
• Molecular Weight: 641.25 g/mol
• Exact Mass: 640.42
• IUPAC Name: [(3R,5R,8S,9S,10S,11S,13S,14S,17S)-17-[(1S)-1,2-bis(trimethylsilyloxy)ethyl]-10,13-dimethyl-3-trimethylsilyloxy-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-11-yl]oxy-trimethylsilane
• SMILES: C[C@]12CC[C@@H](O[Si](C)(C)C)C[C@H]1CC[C@@H]1[C@@H]2[C@@H](O[Si](C)(C)C)C[C@]2(C)[C@@H]([C@@H](CO[Si](C)(C)C)O[Si](C)(C)C)CC[C@@H]12
• InChI: InChI=1S/C33H68O4Si4/c1-32-20-19-25(35-39(6,7)8)21-24(32)15-16-26-27-17-18-28(30(37-41(12,13)14)23-34-38(3,4)5)33(27,2)22-29(31(26)32)36-40(9,10)11/h24-31H,15-23H2,1-14H3/t24-,25-,26+,27+,28-,29+,30-,31-,32+,33+/m1/s1
• InChIKey: RUHLXDLUNAJPIW-APJDKJQDSA-N
• XLogP: 9.77
• TPSA: 36.92 Ų
• H-Bond Acceptors: 4
• Rotatable Bonds: 10
• Heavy Atoms: 41
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	641.25
LogP ≤ 5	9.77
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	4

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of [(3R,5R,8S,9S,10S,11S,13S,14S,17S)-17-[(1S)-1,2-bis(trimethylsilyloxy)ethyl]-10,13-dimethyl-3-trimethylsilyloxy-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-11-yl]oxy-trimethylsilane?

The IUPAC name of [(3R,5R,8S,9S,10S,11S,13S,14S,17S)-17-[(1S)-1,2-bis(trimethylsilyloxy)ethyl]-10,13-dimethyl-3-trimethylsilyloxy-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-11-yl]oxy-trimethylsilane (CID 22211923) is [(3R,5R,8S,9S,10S,11S,13S,14S,17S)-17-[(1S)-1,2-bis(trimethylsilyloxy)ethyl]-10,13-dimethyl-3-trimethylsilyloxy-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-11-yl]oxy-trimethylsilane.

What is the SMILES notation for [(3R,5R,8S,9S,10S,11S,13S,14S,17S)-17-[(1S)-1,2-bis(trimethylsilyloxy)ethyl]-10,13-dimethyl-3-trimethylsilyloxy-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-11-yl]oxy-trimethylsilane?

The canonical SMILES for [(3R,5R,8S,9S,10S,11S,13S,14S,17S)-17-[(1S)-1,2-bis(trimethylsilyloxy)ethyl]-10,13-dimethyl-3-trimethylsilyloxy-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-11-yl]oxy-trimethylsilane is C[C@]12CC[C@@H](O[Si](C)(C)C)C[C@H]1CC[C@@H]1[C@@H]2[C@@H](O[Si](C)(C)C)C[C@]2(C)[C@@H]([C@@H](CO[Si](C)(C)C)O[Si](C)(C)C)CC[C@@H]12.

What is the InChIKey of [(3R,5R,8S,9S,10S,11S,13S,14S,17S)-17-[(1S)-1,2-bis(trimethylsilyloxy)ethyl]-10,13-dimethyl-3-trimethylsilyloxy-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-11-yl]oxy-trimethylsilane?

The InChIKey is RUHLXDLUNAJPIW-APJDKJQDSA-N. The full InChI is InChI=1S/C33H68O4Si4/c1-32-20-19-25(35-39(6,7)8)21-24(32)15-16-26-27-17-18-28(30(37-41(12,13)14)23-34-38(3,4)5)33(27,2)22-29(31(26)32)36-40(9,10)11/h24-31H,15-23H2,1-14H3/t24-,25-,26+,27+,28-,29+,30-,31-,32+,33+/m1/s1.

What are the key properties of [(3R,5R,8S,9S,10S,11S,13S,14S,17S)-17-[(1S)-1,2-bis(trimethylsilyloxy)ethyl]-10,13-dimethyl-3-trimethylsilyloxy-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-11-yl]oxy-trimethylsilane?

[(3R,5R,8S,9S,10S,11S,13S,14S,17S)-17-[(1S)-1,2-bis(trimethylsilyloxy)ethyl]-10,13-dimethyl-3-trimethylsilyloxy-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-11-yl]oxy-trimethylsilane has a molecular weight of 641.25 g/mol, XLogP of 9.77, 10 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for [(3R,5R,8S,9S,10S,11S,13S,14S,17S)-17-[(1S)-1,2-bis(trimethylsilyloxy)ethyl]-10,13-dimethyl-3-trimethylsilyloxy-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-11-yl]oxy-trimethylsilane is sourced from PubChem (CID 22211923), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).