(8S,9S,11S,13S,14S,16S,17S)-16-fluoro-11-methoxy-13-methyl-17-(2-trimethylsilylethynyl)-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthrene-3,17-diol

C24H33FO3Si — CID 10387217

IUPAC(8S,9S,11S,13S,14S,16S,17S)-16-fluoro-11-methoxy-13-methyl-17-(2-trimethylsilylethynyl)-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthrene-3,17-diol
SMILESCO[C@H]1C[C@@]2(C)[C@@H](C[C@H](F)[C@@]2(O)C#C[Si](C)(C)C)[C@@H]2CCc3cc(O)ccc3[C@H]21
InChIInChI=1S/C24H33FO3Si/c1-23-14-20(28-2)22-17-9-7-16(26)12-15(17)6-8-18(22)19(23)13-21(25)24(23,27)10-11-29(3,4)5/h7,9,12,18-22,26-27H,6,8,13-14H2,1-5H3/t18-,19-,20-,21-,22+,23-,24-/m0/s1
InChIKeyXUOJPOYBNMBLDV-DAMCVVMBSA-N
MW416.61 g/mol
LogP4.43
Rot. Bonds1

About (8S,9S,11S,13S,14S,16S,17S)-16-fluoro-11-methoxy-13-methyl-17-(2-trimethylsilylethynyl)-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthrene-3,17-diol

(8S,9S,11S,13S,14S,16S,17S)-16-fluoro-11-methoxy-13-methyl-17-(2-trimethylsilylethynyl)-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthrene-3,17-diol (PubChem CID 10387217) has the molecular formula C24H33FO3Si and a molecular weight of 416.61 g/mol. Its IUPAC name is (8S,9S,11S,13S,14S,16S,17S)-16-fluoro-11-methoxy-13-methyl-17-(2-trimethylsilylethynyl)-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthrene-3,17-diol.

Molecular Properties

Compound Name(8S,9S,11S,13S,14S,16S,17S)-16-fluoro-11-methoxy-13-methyl-17-(2-trimethylsilylethynyl)-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthrene-3,17-diol
PubChem CID10387217
Molecular FormulaC24H33FO3Si
Molecular Weight416.61 g/mol
Exact Mass416.22
IUPAC Name(8S,9S,11S,13S,14S,16S,17S)-16-fluoro-11-methoxy-13-methyl-17-(2-trimethylsilylethynyl)-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthrene-3,17-diol
SMILESCO[C@H]1C[C@@]2(C)[C@@H](C[C@H](F)[C@@]2(O)C#C[Si](C)(C)C)[C@@H]2CCc3cc(O)ccc3[C@H]21
InChIInChI=1S/C24H33FO3Si/c1-23-14-20(28-2)22-17-9-7-16(26)12-15(17)6-8-18(22)19(23)13-21(25)24(23,27)10-11-29(3,4)5/h7,9,12,18-22,26-27H,6,8,13-14H2,1-5H3/t18-,19-,20-,21-,22+,23-,24-/m0/s1
InChIKeyXUOJPOYBNMBLDV-DAMCVVMBSA-N
XLogP4.43
TPSA49.69 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500416.61
LogP ≤ 54.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze (8S,9S,11S,13S,14S,16S,17S)-16-fluoro-11-methoxy-13-methyl-17-(2-trimethylsilylethynyl)-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthrene-3,17-diol with MolForge

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

Launch Full Analysis

Related Compounds

17-ethynyl-16-fluoro-13-methyl-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthrene-3,17-diol
CID 14728728
8-hydroxy-11-methoxy-12a-methyl-2,3,4,4a,4b,5,6,10b,11,12-decahydrochrysen-1-one
CID 162852171
(8S,9S,11S,13S,14S,17R)-17-ethynyl-3,11-dimethoxy-13-methyl-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthren-17-ol
CID 162950243
(8S,9S,11S,13S,14S,17R)-11-methoxy-13-methyl-17-[(Z)-2-tributylstannylethenyl]-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthrene-3,17-diol
CID 70401423
11-fluoro-13-methyl-6,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthrene-3,17-diol
CID 143816390
(8S,9R,11S,13S,14S,16R,17R)-11-(methoxymethyl)-13-methyl-6,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthrene-3,16,17-triol
CID 22791896
(8S,9R,13S,14S,17R)-11-(chloromethyl)-17-ethynyl-13-methyl-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthrene-3,17-diol
CID 18644759
(8S,9S,11S,13S,14S,17R)-13,17-dimethyl-11-propyl-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthrene-3,16,17-triol
CID 10472694
[(8S,9S,11S,13S,14S,17S)-3,17-dihydroxy-13-methyl-6,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthren-11-yl] acetate
CID 22880765
(8R,9S,13S,14S)-15-methoxy-13-methyl-6,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthrene-3,17-diol
CID 148549783
(8S,9S,11S,13S,14S,17R)-17-ethynyl-4-fluoro-11-methoxy-13-methyl-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthrene-3,17-diol
CID 53322125
(8S,9S,11S,13S,14S,17S)-11,13-dimethyl-6,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthrene-3,17-diol
CID 23619914

Frequently Asked Questions

What is the IUPAC name of (8S,9S,11S,13S,14S,16S,17S)-16-fluoro-11-methoxy-13-methyl-17-(2-trimethylsilylethynyl)-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthrene-3,17-diol?
The IUPAC name of (8S,9S,11S,13S,14S,16S,17S)-16-fluoro-11-methoxy-13-methyl-17-(2-trimethylsilylethynyl)-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthrene-3,17-diol (CID 10387217) is (8S,9S,11S,13S,14S,16S,17S)-16-fluoro-11-methoxy-13-methyl-17-(2-trimethylsilylethynyl)-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthrene-3,17-diol.
What is the SMILES notation for (8S,9S,11S,13S,14S,16S,17S)-16-fluoro-11-methoxy-13-methyl-17-(2-trimethylsilylethynyl)-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthrene-3,17-diol?
The canonical SMILES for (8S,9S,11S,13S,14S,16S,17S)-16-fluoro-11-methoxy-13-methyl-17-(2-trimethylsilylethynyl)-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthrene-3,17-diol is CO[C@H]1C[C@@]2(C)[C@@H](C[C@H](F)[C@@]2(O)C#C[Si](C)(C)C)[C@@H]2CCc3cc(O)ccc3[C@H]21.
What is the InChIKey of (8S,9S,11S,13S,14S,16S,17S)-16-fluoro-11-methoxy-13-methyl-17-(2-trimethylsilylethynyl)-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthrene-3,17-diol?
The InChIKey is XUOJPOYBNMBLDV-DAMCVVMBSA-N. The full InChI is InChI=1S/C24H33FO3Si/c1-23-14-20(28-2)22-17-9-7-16(26)12-15(17)6-8-18(22)19(23)13-21(25)24(23,27)10-11-29(3,4)5/h7,9,12,18-22,26-27H,6,8,13-14H2,1-5H3/t18-,19-,20-,21-,22+,23-,24-/m0/s1.
What are the key properties of (8S,9S,11S,13S,14S,16S,17S)-16-fluoro-11-methoxy-13-methyl-17-(2-trimethylsilylethynyl)-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthrene-3,17-diol?
(8S,9S,11S,13S,14S,16S,17S)-16-fluoro-11-methoxy-13-methyl-17-(2-trimethylsilylethynyl)-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthrene-3,17-diol has a molecular weight of 416.61 g/mol, XLogP of 4.43, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (8S,9S,11S,13S,14S,16S,17S)-16-fluoro-11-methoxy-13-methyl-17-(2-trimethylsilylethynyl)-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthrene-3,17-diol is sourced from PubChem (CID 10387217), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).