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

C19H29FO3 — CID 125028341

IUPAC(3R,5S,7R,8R,9R,10R,11R,13S,14R)-3-fluoro-7,11-dihydroxy-10,13-dimethyl-1,2,3,4,5,6,7,8,9,11,12,14,15,16-tetradecahydrocyclopenta[a]phenanthren-17-one
SMILESC[C@@]12CC[C@@H](F)C[C@@H]1C[C@@H](O)[C@H]1[C@H]2[C@H](O)C[C@]2(C)C(=O)CC[C@H]12
InChIInChI=1S/C19H29FO3/c1-18-6-5-11(20)7-10(18)8-13(21)16-12-3-4-15(23)19(12,2)9-14(22)17(16)18/h10-14,16-17,21-22H,3-9H2,1-2H3/t10-,11-,12-,13-,14-,16+,17-,18-,19+/m1/s1
InChIKeyULBSLOTZLOGSDW-HPCPTKEGSA-N
MW324.44 g/mol
LogP2.88
Rot. Bonds

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

(3R,5S,7R,8R,9R,10R,11R,13S,14R)-3-fluoro-7,11-dihydroxy-10,13-dimethyl-1,2,3,4,5,6,7,8,9,11,12,14,15,16-tetradecahydrocyclopenta[a]phenanthren-17-one (PubChem CID 125028341) has the molecular formula C19H29FO3 and a molecular weight of 324.44 g/mol. Its IUPAC name is (3R,5S,7R,8R,9R,10R,11R,13S,14R)-3-fluoro-7,11-dihydroxy-10,13-dimethyl-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,7R,8R,9R,10R,11R,13S,14R)-3-fluoro-7,11-dihydroxy-10,13-dimethyl-1,2,3,4,5,6,7,8,9,11,12,14,15,16-tetradecahydrocyclopenta[a]phenanthren-17-one
PubChem CID125028341
Molecular FormulaC19H29FO3
Molecular Weight324.44 g/mol
Exact Mass324.21
IUPAC Name(3R,5S,7R,8R,9R,10R,11R,13S,14R)-3-fluoro-7,11-dihydroxy-10,13-dimethyl-1,2,3,4,5,6,7,8,9,11,12,14,15,16-tetradecahydrocyclopenta[a]phenanthren-17-one
SMILESC[C@@]12CC[C@@H](F)C[C@@H]1C[C@@H](O)[C@H]1[C@H]2[C@H](O)C[C@]2(C)C(=O)CC[C@H]12
InChIInChI=1S/C19H29FO3/c1-18-6-5-11(20)7-10(18)8-13(21)16-12-3-4-15(23)19(12,2)9-14(22)17(16)18/h10-14,16-17,21-22H,3-9H2,1-2H3/t10-,11-,12-,13-,14-,16+,17-,18-,19+/m1/s1
InChIKeyULBSLOTZLOGSDW-HPCPTKEGSA-N
XLogP2.88
TPSA57.53 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.44
LogP ≤ 52.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze (3R,5S,7R,8R,9R,10R,11R,13S,14R)-3-fluoro-7,11-dihydroxy-10,13-dimethyl-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

Related Compounds

(3R,5S,6S,8R,9R,10S,11R,13S,14S)-3-fluoro-6,11-dihydroxy-10,13-dimethyl-1,2,3,4,5,6,7,8,9,11,12,14,15,16-tetradecahydrocyclopenta[a]phenanthren-17-one
CID 125028222
(3R,5R,7R,8S,9R,10S,13S,14S)-3,7-dihydroxy-10,13-dimethyl-1,2,3,4,5,6,7,8,9,11,12,14,15,16-tetradecahydrocyclopenta[a]phenanthren-17-one
CID 125028379
(3S,5S,8S,9R,10S,11S,13S,14S)-3,11-dihydroxy-10,13-dimethyl-1,2,3,4,5,6,7,8,9,11,12,14,15,16-tetradecahydrocyclopenta[a]phenanthren-17-one
CID 162878639
(3R,5R,8S,10S,11S,13S,14S)-3,11-dihydroxy-10,13-dimethyl-1,2,3,4,5,6,7,8,9,11,12,14,15,16-tetradecahydrocyclopenta[a]phenanthren-17-one
CID 50990353
(3S,8S,9S,10S,11S,13S,14S)-3,11-dihydroxy-10,13-dimethyl-1,2,3,4,5,6,7,8,9,11,12,14,15,16-tetradecahydrocyclopenta[a]phenanthren-17-one
CID 69202166
(3R,5S,8R,9R,10R,11R,13S,14R)-3,11-dihydroxy-10,13-dimethyl-1,2,3,4,5,6,7,8,9,11,12,14,15,16-tetradecahydrocyclopenta[a]phenanthren-17-one
CID 125035426
(3R,5R,8S,9R,10S,11S,13S,14S)-3,11-dihydroxy-10,13-dimethyl-1,2,3,4,5,6,7,8,9,11,12,14,15,16-tetradecahydrocyclopenta[a]phenanthren-17-one
CID 162878640
(5S,9S,10S,11S,13S,14S)-11-hydroxy-10,13-dimethyl-2,4,5,6,7,8,9,11,12,14,15,16-dodecahydro-1H-cyclopenta[a]phenanthrene-3,17-dione
CID 121291922
(3R,5S)-3-fluoro-10,13-dimethyl-1,2,3,4,5,6,7,8,9,11,12,14,15,16-tetradecahydrocyclopenta[a]phenanthren-17-one
CID 45043834
(8R,9S,10S,13S,14S)-3,3,7-trihydroxy-10,13-dimethyl-2,4,5,6,7,8,9,11,12,14,15,16-dodecahydro-1H-cyclopenta[a]phenanthren-17-one
CID 57493600
(3R,5R,8S,9S,10S,11S,13S,14S)-3,11-dihydroxy-10,13-dimethyl-1,2,3,4,5,6,7,8,9,11,12,14,15,16-tetradecahydrocyclopenta[a]phenanthren-17-one;(3R,5R,8S,9S,10S,11S,13S,14S)-11-hydroxy-3,10,13-trimethyl-1,2,3,4,5,6,7,8,9,11,12,14,15,16-tetradecahydrocyclopenta[a]phenanthren-17-one;methane
CID 160798518
[(3S,5R,8S,9S,10S,11S,13S,14S)-11-hydroxy-10,13-dimethyl-17-oxo-1,2,3,4,5,6,7,8,9,11,12,14,15,16-tetradecahydrocyclopenta[a]phenanthren-3-yl] acetate
CID 22211668

Frequently Asked Questions

What is the IUPAC name of (3R,5S,7R,8R,9R,10R,11R,13S,14R)-3-fluoro-7,11-dihydroxy-10,13-dimethyl-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,7R,8R,9R,10R,11R,13S,14R)-3-fluoro-7,11-dihydroxy-10,13-dimethyl-1,2,3,4,5,6,7,8,9,11,12,14,15,16-tetradecahydrocyclopenta[a]phenanthren-17-one (CID 125028341) is (3R,5S,7R,8R,9R,10R,11R,13S,14R)-3-fluoro-7,11-dihydroxy-10,13-dimethyl-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,7R,8R,9R,10R,11R,13S,14R)-3-fluoro-7,11-dihydroxy-10,13-dimethyl-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,7R,8R,9R,10R,11R,13S,14R)-3-fluoro-7,11-dihydroxy-10,13-dimethyl-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](F)C[C@@H]1C[C@@H](O)[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,7R,8R,9R,10R,11R,13S,14R)-3-fluoro-7,11-dihydroxy-10,13-dimethyl-1,2,3,4,5,6,7,8,9,11,12,14,15,16-tetradecahydrocyclopenta[a]phenanthren-17-one?
The InChIKey is ULBSLOTZLOGSDW-HPCPTKEGSA-N. The full InChI is InChI=1S/C19H29FO3/c1-18-6-5-11(20)7-10(18)8-13(21)16-12-3-4-15(23)19(12,2)9-14(22)17(16)18/h10-14,16-17,21-22H,3-9H2,1-2H3/t10-,11-,12-,13-,14-,16+,17-,18-,19+/m1/s1.
What are the key properties of (3R,5S,7R,8R,9R,10R,11R,13S,14R)-3-fluoro-7,11-dihydroxy-10,13-dimethyl-1,2,3,4,5,6,7,8,9,11,12,14,15,16-tetradecahydrocyclopenta[a]phenanthren-17-one?
(3R,5S,7R,8R,9R,10R,11R,13S,14R)-3-fluoro-7,11-dihydroxy-10,13-dimethyl-1,2,3,4,5,6,7,8,9,11,12,14,15,16-tetradecahydrocyclopenta[a]phenanthren-17-one has a molecular weight of 324.44 g/mol, XLogP of 2.88, 0 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3R,5S,7R,8R,9R,10R,11R,13S,14R)-3-fluoro-7,11-dihydroxy-10,13-dimethyl-1,2,3,4,5,6,7,8,9,11,12,14,15,16-tetradecahydrocyclopenta[a]phenanthren-17-one is sourced from PubChem (CID 125028341), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).