(2S,3R,5R,8R,10R,13R,17R)-5-ethenyl-2-ethyl-3,13-dimethyl-17-propan-2-yl-2,3,4,6,7,8,9,10,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthrene

C26H44 — CID 155733294

IUPAC(2S,3R,5R,8R,10R,13R,17R)-5-ethenyl-2-ethyl-3,13-dimethyl-17-propan-2-yl-2,3,4,6,7,8,9,10,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthrene
SMILESC=C[C@]12CC[C@@H]3C(CC[C@@]4(C)C3CC[C@@H]4C(C)C)[C@H]1C[C@H](CC)[C@H](C)C2
InChIInChI=1S/C26H44/c1-7-19-15-24-21-11-13-25(6)22(17(3)4)9-10-23(25)20(21)12-14-26(24,8-2)16-18(19)5/h8,17-24H,2,7,9-16H2,1,3-6H3/t18-,19+,20-,21?,22-,23?,24-,25-,26-/m1/s1
InChIKeyXCHCGILBCUZPBH-VZSNVIANSA-N
MW356.64 g/mol
LogP7.74
Rot. Bonds3

About (2S,3R,5R,8R,10R,13R,17R)-5-ethenyl-2-ethyl-3,13-dimethyl-17-propan-2-yl-2,3,4,6,7,8,9,10,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthrene

(2S,3R,5R,8R,10R,13R,17R)-5-ethenyl-2-ethyl-3,13-dimethyl-17-propan-2-yl-2,3,4,6,7,8,9,10,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthrene (PubChem CID 155733294) has the molecular formula C26H44 and a molecular weight of 356.64 g/mol. Its IUPAC name is (2S,3R,5R,8R,10R,13R,17R)-5-ethenyl-2-ethyl-3,13-dimethyl-17-propan-2-yl-2,3,4,6,7,8,9,10,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthrene.

Molecular Properties

Compound Name(2S,3R,5R,8R,10R,13R,17R)-5-ethenyl-2-ethyl-3,13-dimethyl-17-propan-2-yl-2,3,4,6,7,8,9,10,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthrene
PubChem CID155733294
Molecular FormulaC26H44
Molecular Weight356.64 g/mol
Exact Mass356.34
IUPAC Name(2S,3R,5R,8R,10R,13R,17R)-5-ethenyl-2-ethyl-3,13-dimethyl-17-propan-2-yl-2,3,4,6,7,8,9,10,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthrene
SMILESC=C[C@]12CC[C@@H]3C(CC[C@@]4(C)C3CC[C@@H]4C(C)C)[C@H]1C[C@H](CC)[C@H](C)C2
InChIInChI=1S/C26H44/c1-7-19-15-24-21-11-13-25(6)22(17(3)4)9-10-23(25)20(21)12-14-26(24,8-2)16-18(19)5/h8,17-24H,2,7,9-16H2,1,3-6H3/t18-,19+,20-,21?,22-,23?,24-,25-,26-/m1/s1
InChIKeyXCHCGILBCUZPBH-VZSNVIANSA-N
XLogP7.74
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500356.64
LogP ≤ 57.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

Analyze (2S,3R,5R,8R,10R,13R,17R)-5-ethenyl-2-ethyl-3,13-dimethyl-17-propan-2-yl-2,3,4,6,7,8,9,10,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthrene 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

(2S,3S,5S,8R,9R,10S,13R,14S,17R)-2,3,13-trimethyl-17-propan-2-yl-2,4,5,6,7,8,9,10,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-3-ol
CID 118919808
(3S,10R,13R,17R)-3,10,13-trimethyl-17-propan-2-yl-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthrene
CID 59891595
(3R,5S,6S,10S,13R)-17-[(2R)-butan-2-yl]-6-ethyl-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-3-ol
CID 138507188
(3R)-3-[(3R,6S,10S,13R,17R)-6-ethyl-3-hydroxy-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl]butanenitrile
CID 144967401
8-ethyl-3,3a,6,7-tetramethyl-6-(3-methylpent-4-enyl)-2,3,4,5,5a,7,8,9,9a,9b-decahydro-1H-cyclopenta[a]naphthalene
CID 90729898
13-methyl-17-(5-methylhept-3-en-2-yl)-1,2,3,4,5,6,7,8,9,10,11,12,14,15,16,17-hexadecahydrocyclopenta[a]phenanthren-3-ol
CID 74051401
N,N-dimethylethanamine;2-methylbutane;3,10,13-trimethyl-17-propan-2-yl-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthrene
CID 145486660
10,13-dimethyl-17-propan-2-yl-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthrene-3-thiol
CID 142465288
(6S)-6-ethyl-10,13-dimethyl-17-[(2S)-3,3,4-trimethylpentan-2-yl]-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthrene
CID 174064037
(2R,3S,5S,8R,9R,10S,13S,14S,17S)-17-(1-hydroxyethyl)-2,3,13-trimethyl-2,4,5,6,7,8,9,10,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-3-ol
CID 118919804
(3S,5S,6R,10S,13R,17R)-6-ethyl-17-[(2R)-5-hydroxypentan-2-yl]-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-3-ol
CID 118549246
(5R)-5-[(3R,3aR,5aR,6S,7S,9aR,9bS)-7-[(2S)-2-hydroxybutyl]-3a,6-dimethyl-1,2,3,4,5,5a,6,7,8,9,9a,9b-dodecahydrocyclopenta[a]naphthalen-3-yl]-2-methylhexan-2-ol
CID 170254706

Frequently Asked Questions

What is the IUPAC name of (2S,3R,5R,8R,10R,13R,17R)-5-ethenyl-2-ethyl-3,13-dimethyl-17-propan-2-yl-2,3,4,6,7,8,9,10,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthrene?
The IUPAC name of (2S,3R,5R,8R,10R,13R,17R)-5-ethenyl-2-ethyl-3,13-dimethyl-17-propan-2-yl-2,3,4,6,7,8,9,10,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthrene (CID 155733294) is (2S,3R,5R,8R,10R,13R,17R)-5-ethenyl-2-ethyl-3,13-dimethyl-17-propan-2-yl-2,3,4,6,7,8,9,10,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthrene.
What is the SMILES notation for (2S,3R,5R,8R,10R,13R,17R)-5-ethenyl-2-ethyl-3,13-dimethyl-17-propan-2-yl-2,3,4,6,7,8,9,10,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthrene?
The canonical SMILES for (2S,3R,5R,8R,10R,13R,17R)-5-ethenyl-2-ethyl-3,13-dimethyl-17-propan-2-yl-2,3,4,6,7,8,9,10,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthrene is C=C[C@]12CC[C@@H]3C(CC[C@@]4(C)C3CC[C@@H]4C(C)C)[C@H]1C[C@H](CC)[C@H](C)C2.
What is the InChIKey of (2S,3R,5R,8R,10R,13R,17R)-5-ethenyl-2-ethyl-3,13-dimethyl-17-propan-2-yl-2,3,4,6,7,8,9,10,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthrene?
The InChIKey is XCHCGILBCUZPBH-VZSNVIANSA-N. The full InChI is InChI=1S/C26H44/c1-7-19-15-24-21-11-13-25(6)22(17(3)4)9-10-23(25)20(21)12-14-26(24,8-2)16-18(19)5/h8,17-24H,2,7,9-16H2,1,3-6H3/t18-,19+,20-,21?,22-,23?,24-,25-,26-/m1/s1.
What are the key properties of (2S,3R,5R,8R,10R,13R,17R)-5-ethenyl-2-ethyl-3,13-dimethyl-17-propan-2-yl-2,3,4,6,7,8,9,10,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthrene?
(2S,3R,5R,8R,10R,13R,17R)-5-ethenyl-2-ethyl-3,13-dimethyl-17-propan-2-yl-2,3,4,6,7,8,9,10,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthrene has a molecular weight of 356.64 g/mol, XLogP of 7.74, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,3R,5R,8R,10R,13R,17R)-5-ethenyl-2-ethyl-3,13-dimethyl-17-propan-2-yl-2,3,4,6,7,8,9,10,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthrene is sourced from PubChem (CID 155733294), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).