methyl (8S,9S,10R,11S,13S,14S,17R)-17-hydroxy-10,13-dimethyl-3-oxo-11-trimethylsilyloxy-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthrene-17-carboxylate

C24H36O5Si — CID 24866418

About methyl (8S,9S,10R,11S,13S,14S,17R)-17-hydroxy-10,13-dimethyl-3-oxo-11-trimethylsilyloxy-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthrene-17-carboxylate

methyl (8S,9S,10R,11S,13S,14S,17R)-17-hydroxy-10,13-dimethyl-3-oxo-11-trimethylsilyloxy-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthrene-17-carboxylate (PubChem CID 24866418) has the molecular formula C24H36O5Si and a molecular weight of 432.63 g/mol. Its IUPAC name is methyl (8S,9S,10R,11S,13S,14S,17R)-17-hydroxy-10,13-dimethyl-3-oxo-11-trimethylsilyloxy-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthrene-17-carboxylate.

Molecular Properties

• Compound Name: methyl (8S,9S,10R,11S,13S,14S,17R)-17-hydroxy-10,13-dimethyl-3-oxo-11-trimethylsilyloxy-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthrene-17-carboxylate
• PubChem CID: 24866418
• Molecular Formula: C24H36O5Si
• Molecular Weight: 432.63 g/mol
• Exact Mass: 432.23
• IUPAC Name: methyl (8S,9S,10R,11S,13S,14S,17R)-17-hydroxy-10,13-dimethyl-3-oxo-11-trimethylsilyloxy-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthrene-17-carboxylate
• SMILES: COC(=O)[C@@]1(O)CC[C@H]2[C@@H]3CCC4=CC(=O)C=C[C@]4(C)[C@H]3[C@@H](O[Si](C)(C)C)C[C@@]21C
• InChI: InChI=1S/C24H36O5Si/c1-22-11-9-16(25)13-15(22)7-8-17-18-10-12-24(27,21(26)28-3)23(18,2)14-19(20(17)22)29-30(4,5)6/h9,11,13,17-20,27H,7-8,10,12,14H2,1-6H3/t17-,18-,19-,20+,22-,23-,24-/m0/s1
• InChIKey: YRYIOZUPQJGMIL-LNJFAXJLSA-N
• XLogP: 4.03
• TPSA: 72.83 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 5
• Rotatable Bonds: 3
• Heavy Atoms: 30
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	432.63
LogP ≤ 5	4.03
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	5

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of methyl (8S,9S,10R,11S,13S,14S,17R)-17-hydroxy-10,13-dimethyl-3-oxo-11-trimethylsilyloxy-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthrene-17-carboxylate?

The IUPAC name of methyl (8S,9S,10R,11S,13S,14S,17R)-17-hydroxy-10,13-dimethyl-3-oxo-11-trimethylsilyloxy-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthrene-17-carboxylate (CID 24866418) is methyl (8S,9S,10R,11S,13S,14S,17R)-17-hydroxy-10,13-dimethyl-3-oxo-11-trimethylsilyloxy-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthrene-17-carboxylate.

What is the SMILES notation for methyl (8S,9S,10R,11S,13S,14S,17R)-17-hydroxy-10,13-dimethyl-3-oxo-11-trimethylsilyloxy-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthrene-17-carboxylate?

The canonical SMILES for methyl (8S,9S,10R,11S,13S,14S,17R)-17-hydroxy-10,13-dimethyl-3-oxo-11-trimethylsilyloxy-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthrene-17-carboxylate is COC(=O)[C@@]1(O)CC[C@H]2[C@@H]3CCC4=CC(=O)C=C[C@]4(C)[C@H]3[C@@H](O[Si](C)(C)C)C[C@@]21C.

What is the InChIKey of methyl (8S,9S,10R,11S,13S,14S,17R)-17-hydroxy-10,13-dimethyl-3-oxo-11-trimethylsilyloxy-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthrene-17-carboxylate?

The InChIKey is YRYIOZUPQJGMIL-LNJFAXJLSA-N. The full InChI is InChI=1S/C24H36O5Si/c1-22-11-9-16(25)13-15(22)7-8-17-18-10-12-24(27,21(26)28-3)23(18,2)14-19(20(17)22)29-30(4,5)6/h9,11,13,17-20,27H,7-8,10,12,14H2,1-6H3/t17-,18-,19-,20+,22-,23-,24-/m0/s1.

What are the key properties of methyl (8S,9S,10R,11S,13S,14S,17R)-17-hydroxy-10,13-dimethyl-3-oxo-11-trimethylsilyloxy-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthrene-17-carboxylate?

methyl (8S,9S,10R,11S,13S,14S,17R)-17-hydroxy-10,13-dimethyl-3-oxo-11-trimethylsilyloxy-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthrene-17-carboxylate has a molecular weight of 432.63 g/mol, XLogP of 4.03, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for methyl (8S,9S,10R,11S,13S,14S,17R)-17-hydroxy-10,13-dimethyl-3-oxo-11-trimethylsilyloxy-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthrene-17-carboxylate is sourced from PubChem (CID 24866418), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).