(3R,5S,8S,9S,10S,11S,13S,14S)-11-hydroxy-10,13-dimethyl-3-trimethylsilyloxy-1,2,3,4,5,6,7,8,9,11,12,14,15,16-tetradecahydrocyclopenta[a]phenanthren-17-one

C22H38O3Si — CID 22214186

IUPAC(3R,5S,8S,9S,10S,11S,13S,14S)-11-hydroxy-10,13-dimethyl-3-trimethylsilyloxy-1,2,3,4,5,6,7,8,9,11,12,14,15,16-tetradecahydrocyclopenta[a]phenanthren-17-one
SMILESC[C@]12CC[C@@H](O[Si](C)(C)C)C[C@@H]1CC[C@@H]1[C@@H]2[C@@H](O)C[C@]2(C)C(=O)CC[C@@H]12
InChIInChI=1S/C22H38O3Si/c1-21-11-10-15(25-26(3,4)5)12-14(21)6-7-16-17-8-9-19(24)22(17,2)13-18(23)20(16)21/h14-18,20,23H,6-13H2,1-5H3/t14-,15+,16-,17-,18-,20+,21-,22-/m0/s1
InChIKeySCSKJVCXVZQCIE-OQBOHRRJSA-N
MW378.63 g/mol
LogP4.79
Rot. Bonds2

About (3R,5S,8S,9S,10S,11S,13S,14S)-11-hydroxy-10,13-dimethyl-3-trimethylsilyloxy-1,2,3,4,5,6,7,8,9,11,12,14,15,16-tetradecahydrocyclopenta[a]phenanthren-17-one

(3R,5S,8S,9S,10S,11S,13S,14S)-11-hydroxy-10,13-dimethyl-3-trimethylsilyloxy-1,2,3,4,5,6,7,8,9,11,12,14,15,16-tetradecahydrocyclopenta[a]phenanthren-17-one (PubChem CID 22214186) has the molecular formula C22H38O3Si and a molecular weight of 378.63 g/mol. Its IUPAC name is (3R,5S,8S,9S,10S,11S,13S,14S)-11-hydroxy-10,13-dimethyl-3-trimethylsilyloxy-1,2,3,4,5,6,7,8,9,11,12,14,15,16-tetradecahydrocyclopenta[a]phenanthren-17-one.

Molecular Properties

Compound Name(3R,5S,8S,9S,10S,11S,13S,14S)-11-hydroxy-10,13-dimethyl-3-trimethylsilyloxy-1,2,3,4,5,6,7,8,9,11,12,14,15,16-tetradecahydrocyclopenta[a]phenanthren-17-one
PubChem CID22214186
Molecular FormulaC22H38O3Si
Molecular Weight378.63 g/mol
Exact Mass378.26
IUPAC Name(3R,5S,8S,9S,10S,11S,13S,14S)-11-hydroxy-10,13-dimethyl-3-trimethylsilyloxy-1,2,3,4,5,6,7,8,9,11,12,14,15,16-tetradecahydrocyclopenta[a]phenanthren-17-one
SMILESC[C@]12CC[C@@H](O[Si](C)(C)C)C[C@@H]1CC[C@@H]1[C@@H]2[C@@H](O)C[C@]2(C)C(=O)CC[C@@H]12
InChIInChI=1S/C22H38O3Si/c1-21-11-10-15(25-26(3,4)5)12-14(21)6-7-16-17-8-9-19(24)22(17,2)13-18(23)20(16)21/h14-18,20,23H,6-13H2,1-5H3/t14-,15+,16-,17-,18-,20+,21-,22-/m0/s1
InChIKeySCSKJVCXVZQCIE-OQBOHRRJSA-N
XLogP4.79
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.63
LogP ≤ 54.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze (3R,5S,8S,9S,10S,11S,13S,14S)-11-hydroxy-10,13-dimethyl-3-trimethylsilyloxy-1,2,3,4,5,6,7,8,9,11,12,14,15,16-tetradecahydrocyclopenta[a]phenanthren-17-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (3R,5S,8S,9S,10S,11S,13S,14S)-11-hydroxy-10,13-dimethyl-3-trimethylsilyloxy-1,2,3,4,5,6,7,8,9,11,12,14,15,16-tetradecahydrocyclopenta[a]phenanthren-17-one?
The IUPAC name of (3R,5S,8S,9S,10S,11S,13S,14S)-11-hydroxy-10,13-dimethyl-3-trimethylsilyloxy-1,2,3,4,5,6,7,8,9,11,12,14,15,16-tetradecahydrocyclopenta[a]phenanthren-17-one (CID 22214186) is (3R,5S,8S,9S,10S,11S,13S,14S)-11-hydroxy-10,13-dimethyl-3-trimethylsilyloxy-1,2,3,4,5,6,7,8,9,11,12,14,15,16-tetradecahydrocyclopenta[a]phenanthren-17-one.
What is the SMILES notation for (3R,5S,8S,9S,10S,11S,13S,14S)-11-hydroxy-10,13-dimethyl-3-trimethylsilyloxy-1,2,3,4,5,6,7,8,9,11,12,14,15,16-tetradecahydrocyclopenta[a]phenanthren-17-one?
The canonical SMILES for (3R,5S,8S,9S,10S,11S,13S,14S)-11-hydroxy-10,13-dimethyl-3-trimethylsilyloxy-1,2,3,4,5,6,7,8,9,11,12,14,15,16-tetradecahydrocyclopenta[a]phenanthren-17-one is C[C@]12CC[C@@H](O[Si](C)(C)C)C[C@@H]1CC[C@@H]1[C@@H]2[C@@H](O)C[C@]2(C)C(=O)CC[C@@H]12.
What is the InChIKey of (3R,5S,8S,9S,10S,11S,13S,14S)-11-hydroxy-10,13-dimethyl-3-trimethylsilyloxy-1,2,3,4,5,6,7,8,9,11,12,14,15,16-tetradecahydrocyclopenta[a]phenanthren-17-one?
The InChIKey is SCSKJVCXVZQCIE-OQBOHRRJSA-N. The full InChI is InChI=1S/C22H38O3Si/c1-21-11-10-15(25-26(3,4)5)12-14(21)6-7-16-17-8-9-19(24)22(17,2)13-18(23)20(16)21/h14-18,20,23H,6-13H2,1-5H3/t14-,15+,16-,17-,18-,20+,21-,22-/m0/s1.
What are the key properties of (3R,5S,8S,9S,10S,11S,13S,14S)-11-hydroxy-10,13-dimethyl-3-trimethylsilyloxy-1,2,3,4,5,6,7,8,9,11,12,14,15,16-tetradecahydrocyclopenta[a]phenanthren-17-one?
(3R,5S,8S,9S,10S,11S,13S,14S)-11-hydroxy-10,13-dimethyl-3-trimethylsilyloxy-1,2,3,4,5,6,7,8,9,11,12,14,15,16-tetradecahydrocyclopenta[a]phenanthren-17-one has a molecular weight of 378.63 g/mol, XLogP of 4.79, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3R,5S,8S,9S,10S,11S,13S,14S)-11-hydroxy-10,13-dimethyl-3-trimethylsilyloxy-1,2,3,4,5,6,7,8,9,11,12,14,15,16-tetradecahydrocyclopenta[a]phenanthren-17-one is sourced from PubChem (CID 22214186), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).