(8S,9S,10S,13S,14S)-10,13-dimethyl-4,5,8,9,11,12,14,15,16,17-decahydro-1H-cyclopenta[a]phenanthrene-2,3-dione

C19H26O2 — CID 91495374

IUPAC(8S,9S,10S,13S,14S)-10,13-dimethyl-4,5,8,9,11,12,14,15,16,17-decahydro-1H-cyclopenta[a]phenanthrene-2,3-dione
SMILESC[C@@]12CCC[C@H]1[C@@H]1C=CC3CC(=O)C(=O)C[C@]3(C)[C@H]1CC2
InChIInChI=1S/C19H26O2/c1-18-8-3-4-14(18)13-6-5-12-10-16(20)17(21)11-19(12,2)15(13)7-9-18/h5-6,12-15H,3-4,7-11H2,1-2H3/t12?,13-,14-,15-,18-,19-/m0/s1
InChIKeyOCESKTXNWMGSCR-YQQVEUKQSA-N
MW286.42 g/mol
LogP3.94
Rot. Bonds

About (8S,9S,10S,13S,14S)-10,13-dimethyl-4,5,8,9,11,12,14,15,16,17-decahydro-1H-cyclopenta[a]phenanthrene-2,3-dione

(8S,9S,10S,13S,14S)-10,13-dimethyl-4,5,8,9,11,12,14,15,16,17-decahydro-1H-cyclopenta[a]phenanthrene-2,3-dione (PubChem CID 91495374) has the molecular formula C19H26O2 and a molecular weight of 286.42 g/mol. Its IUPAC name is (8S,9S,10S,13S,14S)-10,13-dimethyl-4,5,8,9,11,12,14,15,16,17-decahydro-1H-cyclopenta[a]phenanthrene-2,3-dione.

Molecular Properties

Compound Name(8S,9S,10S,13S,14S)-10,13-dimethyl-4,5,8,9,11,12,14,15,16,17-decahydro-1H-cyclopenta[a]phenanthrene-2,3-dione
PubChem CID91495374
Molecular FormulaC19H26O2
Molecular Weight286.42 g/mol
Exact Mass286.19
IUPAC Name(8S,9S,10S,13S,14S)-10,13-dimethyl-4,5,8,9,11,12,14,15,16,17-decahydro-1H-cyclopenta[a]phenanthrene-2,3-dione
SMILESC[C@@]12CCC[C@H]1[C@@H]1C=CC3CC(=O)C(=O)C[C@]3(C)[C@H]1CC2
InChIInChI=1S/C19H26O2/c1-18-8-3-4-14(18)13-6-5-12-10-16(20)17(21)11-19(12,2)15(13)7-9-18/h5-6,12-15H,3-4,7-11H2,1-2H3/t12?,13-,14-,15-,18-,19-/m0/s1
InChIKeyOCESKTXNWMGSCR-YQQVEUKQSA-N
XLogP3.94
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 ≤ 53.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_one_A(321)', 'substructure': 'N/A'}, {'alert_name': 'diketo_group', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

Analyze (8S,9S,10S,13S,14S)-10,13-dimethyl-4,5,8,9,11,12,14,15,16,17-decahydro-1H-cyclopenta[a]phenanthrene-2,3-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

(5S,8S,9S,10S,13R,14R)-10,13-dimethyl-1,2,3,4,5,7,8,9,11,12,14,15,16,17-tetradecahydrocyclopenta[a]phenanthren-6-one
CID 125028459
(8R,9R,10S,13S,14S)-13-methyl-1,2,3,4,5,8,9,10,11,12,14,15,16,17-tetradecahydrocyclopenta[a]phenanthrene
CID 91036860
(5R,8S,9S,10S,13R,14R)-10,13-dimethyl-1,2,3,4,5,6,8,9,11,12,14,15,16,17-tetradecahydrocyclopenta[a]phenanthren-7-one
CID 125028492
(8R,9R,10R,13R,14R)-4,4,10,13-tetramethyl-2,7,8,9,11,12,14,15,16,17-decahydro-1H-cyclopenta[a]phenanthren-3-one
CID 124912176
6,10,13-trimethyl-1,2,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthren-3-one
CID 12769530
(5S,8S,9S,10R,13S,14S)-4,4,10,13-tetramethyl-2,3,5,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-6-one
CID 102239951
10,13-dimethyl-1,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydrocyclopenta[a]phenanthren-2-one
CID 612154
(5S)-10,13-dimethyl-2,4,5,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthrene-3,6-dione
CID 45043847
1,5-dimethyltetracyclo[10.3.1.02,10.05,9]hexadec-13-en-16-one
CID 4619766
(8S,9R,10R,13S,14S)-1,1-dihydroxy-10,13-dimethyl-6,7,8,9,11,12,14,15,16,17-decahydro-2H-cyclopenta[a]phenanthren-3-one
CID 67460270
(5S,8S,9S,10S,13S,14S)-10,13-dimethyl-2-prop-2-enyl-4,5,6,7,8,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-3-one
CID 70571866
9a,11a-dimethyl-2,3,3a,3b,4,5,5a,6,9,9b,10,11-dodecahydro-1H-indeno[4,5-h]isochromen-7-one
CID 77279587

Frequently Asked Questions

What is the IUPAC name of (8S,9S,10S,13S,14S)-10,13-dimethyl-4,5,8,9,11,12,14,15,16,17-decahydro-1H-cyclopenta[a]phenanthrene-2,3-dione?
The IUPAC name of (8S,9S,10S,13S,14S)-10,13-dimethyl-4,5,8,9,11,12,14,15,16,17-decahydro-1H-cyclopenta[a]phenanthrene-2,3-dione (CID 91495374) is (8S,9S,10S,13S,14S)-10,13-dimethyl-4,5,8,9,11,12,14,15,16,17-decahydro-1H-cyclopenta[a]phenanthrene-2,3-dione.
What is the SMILES notation for (8S,9S,10S,13S,14S)-10,13-dimethyl-4,5,8,9,11,12,14,15,16,17-decahydro-1H-cyclopenta[a]phenanthrene-2,3-dione?
The canonical SMILES for (8S,9S,10S,13S,14S)-10,13-dimethyl-4,5,8,9,11,12,14,15,16,17-decahydro-1H-cyclopenta[a]phenanthrene-2,3-dione is C[C@@]12CCC[C@H]1[C@@H]1C=CC3CC(=O)C(=O)C[C@]3(C)[C@H]1CC2.
What is the InChIKey of (8S,9S,10S,13S,14S)-10,13-dimethyl-4,5,8,9,11,12,14,15,16,17-decahydro-1H-cyclopenta[a]phenanthrene-2,3-dione?
The InChIKey is OCESKTXNWMGSCR-YQQVEUKQSA-N. The full InChI is InChI=1S/C19H26O2/c1-18-8-3-4-14(18)13-6-5-12-10-16(20)17(21)11-19(12,2)15(13)7-9-18/h5-6,12-15H,3-4,7-11H2,1-2H3/t12?,13-,14-,15-,18-,19-/m0/s1.
What are the key properties of (8S,9S,10S,13S,14S)-10,13-dimethyl-4,5,8,9,11,12,14,15,16,17-decahydro-1H-cyclopenta[a]phenanthrene-2,3-dione?
(8S,9S,10S,13S,14S)-10,13-dimethyl-4,5,8,9,11,12,14,15,16,17-decahydro-1H-cyclopenta[a]phenanthrene-2,3-dione has a molecular weight of 286.42 g/mol, XLogP of 3.94, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (8S,9S,10S,13S,14S)-10,13-dimethyl-4,5,8,9,11,12,14,15,16,17-decahydro-1H-cyclopenta[a]phenanthrene-2,3-dione is sourced from PubChem (CID 91495374), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).