(5S,8S,9R,10R,13S)-10,13-dimethyl-2,4,5,6,7,8,9,11,12,16-decahydro-1H-cyclopenta[a]phenanthrene-3,17-dione

C19H26O2 — CID 124916841

IUPAC(5S,8S,9R,10R,13S)-10,13-dimethyl-2,4,5,6,7,8,9,11,12,16-decahydro-1H-cyclopenta[a]phenanthrene-3,17-dione
SMILESC[C@]12CC[C@@H]3[C@H](CC[C@H]4CC(=O)CC[C@]43C)C1=CCC2=O
InChIInChI=1S/C19H26O2/c1-18-9-7-13(20)11-12(18)3-4-14-15-5-6-17(21)19(15,2)10-8-16(14)18/h5,12,14,16H,3-4,6-11H2,1-2H3/t12-,14+,16+,18+,19-/m0/s1
InChIKeyVDFBQTVTYFYMFC-IAZQSEGYSA-N
MW286.42 g/mol
LogP4.09
Rot. Bonds

About (5S,8S,9R,10R,13S)-10,13-dimethyl-2,4,5,6,7,8,9,11,12,16-decahydro-1H-cyclopenta[a]phenanthrene-3,17-dione

(5S,8S,9R,10R,13S)-10,13-dimethyl-2,4,5,6,7,8,9,11,12,16-decahydro-1H-cyclopenta[a]phenanthrene-3,17-dione (PubChem CID 124916841) has the molecular formula C19H26O2 and a molecular weight of 286.42 g/mol. Its IUPAC name is (5S,8S,9R,10R,13S)-10,13-dimethyl-2,4,5,6,7,8,9,11,12,16-decahydro-1H-cyclopenta[a]phenanthrene-3,17-dione.

Molecular Properties

Compound Name(5S,8S,9R,10R,13S)-10,13-dimethyl-2,4,5,6,7,8,9,11,12,16-decahydro-1H-cyclopenta[a]phenanthrene-3,17-dione
PubChem CID124916841
Molecular FormulaC19H26O2
Molecular Weight286.42 g/mol
Exact Mass286.19
IUPAC Name(5S,8S,9R,10R,13S)-10,13-dimethyl-2,4,5,6,7,8,9,11,12,16-decahydro-1H-cyclopenta[a]phenanthrene-3,17-dione
SMILESC[C@]12CC[C@@H]3[C@H](CC[C@H]4CC(=O)CC[C@]43C)C1=CCC2=O
InChIInChI=1S/C19H26O2/c1-18-9-7-13(20)11-12(18)3-4-14-15-5-6-17(21)19(15,2)10-8-16(14)18/h5,12,14,16H,3-4,6-11H2,1-2H3/t12-,14+,16+,18+,19-/m0/s1
InChIKeyVDFBQTVTYFYMFC-IAZQSEGYSA-N
XLogP4.09
TPSA34.14 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.42
LogP ≤ 54.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze (5S,8S,9R,10R,13S)-10,13-dimethyl-2,4,5,6,7,8,9,11,12,16-decahydro-1H-cyclopenta[a]phenanthrene-3,17-dione 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

(8R,9S,10S,13S)-10,13-dimethyl-17-(2-methylsulfonylacetyl)-1,2,4,5,6,7,8,9,11,12-decahydrocyclopenta[a]phenanthren-3-one
CID 70596203
(10,13-dimethyl-17-oxo-1,2,3,4,5,6,7,8,9,11,12,16-dodecahydrocyclopenta[a]phenanthren-3-yl) acetate
CID 627353
(8R,9S,10S,13S)-1-hydroxy-10,13-dimethyl-1,2,3,4,5,6,7,8,9,11,12,16-dodecahydrocyclopenta[a]phenanthren-17-one
CID 175008749
(8R,9S,10S,13R,17R)-17-ethenyl-10,13-dimethyl-2,4,5,6,7,8,9,11,12,17-decahydro-1H-cyclopenta[a]phenanthrene-3,16-dione
CID 67237053
5-[(5R,8R,9S,10S,13R,17S)-10,13-dimethyl-3-oxo-1,2,4,5,6,7,8,9,11,12,16,17-dodecahydrocyclopenta[a]phenanthren-17-yl]pyran-2-one
CID 131876485
(8S,10S,13S,14S)-10,13-dimethyl-2,4,5,6,7,8,12,14,15,16-decahydro-1H-cyclopenta[a]phenanthrene-3,17-dione
CID 66657091
(8R,9S,10S,13S,14S)-10,13-dimethyl-2,4,5,6,7,8,9,11,12,14,15,16-dodecahydro-1H-cyclopenta[a]phenanthrene-3,17-dione
CID 71309683
10,13-dimethyl-2,4,5,6,7,8,9,11,12,14,15,16-dodecahydro-1H-cyclopenta[a]phenanthrene-3,17-dione
CID 443
(4aS,6aR,11aS,11bS)-11b-methyl-2,4,4a,5,6,6a,11,11a-octahydro-1H-benzo[a]fluoren-3-one
CID 135021337
(8R,9S,10S,13S,14S)-10,13-dimethyl-2,4,5,6,7,8,9,11,12,14,15,16-dodecahydro-1H-cyclopenta[a]phenanthrene-3,17-dione;hydrate
CID 140970819
(5S,8S,10S,13R,14R,17S)-17-hydroxy-10,13,17-trimethyl-2,4,5,6,7,8,12,14,15,16-decahydro-1H-cyclopenta[a]phenanthren-3-one
CID 125125635
(5R,8R,9R,10S,13S)-13-methyl-2,3,4,5,6,7,8,9,10,11,12,16-dodecahydro-1H-cyclopenta[a]phenanthren-17-one
CID 67724793

Frequently Asked Questions

What is the IUPAC name of (5S,8S,9R,10R,13S)-10,13-dimethyl-2,4,5,6,7,8,9,11,12,16-decahydro-1H-cyclopenta[a]phenanthrene-3,17-dione?
The IUPAC name of (5S,8S,9R,10R,13S)-10,13-dimethyl-2,4,5,6,7,8,9,11,12,16-decahydro-1H-cyclopenta[a]phenanthrene-3,17-dione (CID 124916841) is (5S,8S,9R,10R,13S)-10,13-dimethyl-2,4,5,6,7,8,9,11,12,16-decahydro-1H-cyclopenta[a]phenanthrene-3,17-dione.
What is the SMILES notation for (5S,8S,9R,10R,13S)-10,13-dimethyl-2,4,5,6,7,8,9,11,12,16-decahydro-1H-cyclopenta[a]phenanthrene-3,17-dione?
The canonical SMILES for (5S,8S,9R,10R,13S)-10,13-dimethyl-2,4,5,6,7,8,9,11,12,16-decahydro-1H-cyclopenta[a]phenanthrene-3,17-dione is C[C@]12CC[C@@H]3[C@H](CC[C@H]4CC(=O)CC[C@]43C)C1=CCC2=O.
What is the InChIKey of (5S,8S,9R,10R,13S)-10,13-dimethyl-2,4,5,6,7,8,9,11,12,16-decahydro-1H-cyclopenta[a]phenanthrene-3,17-dione?
The InChIKey is VDFBQTVTYFYMFC-IAZQSEGYSA-N. The full InChI is InChI=1S/C19H26O2/c1-18-9-7-13(20)11-12(18)3-4-14-15-5-6-17(21)19(15,2)10-8-16(14)18/h5,12,14,16H,3-4,6-11H2,1-2H3/t12-,14+,16+,18+,19-/m0/s1.
What are the key properties of (5S,8S,9R,10R,13S)-10,13-dimethyl-2,4,5,6,7,8,9,11,12,16-decahydro-1H-cyclopenta[a]phenanthrene-3,17-dione?
(5S,8S,9R,10R,13S)-10,13-dimethyl-2,4,5,6,7,8,9,11,12,16-decahydro-1H-cyclopenta[a]phenanthrene-3,17-dione has a molecular weight of 286.42 g/mol, XLogP of 4.09, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (5S,8S,9R,10R,13S)-10,13-dimethyl-2,4,5,6,7,8,9,11,12,16-decahydro-1H-cyclopenta[a]phenanthrene-3,17-dione is sourced from PubChem (CID 124916841), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).