(8S,9S,10R,13R,14S,17R)-10,13,17-trimethyl-8,9,11,12,14,15,16,17-octahydro-3H-cyclopenta[a]phenanthrene

C20H28 — CID 11492722

About (8S,9S,10R,13R,14S,17R)-10,13,17-trimethyl-8,9,11,12,14,15,16,17-octahydro-3H-cyclopenta[a]phenanthrene

(8S,9S,10R,13R,14S,17R)-10,13,17-trimethyl-8,9,11,12,14,15,16,17-octahydro-3H-cyclopenta[a]phenanthrene (PubChem CID 11492722) has the molecular formula C20H28 and a molecular weight of 268.44 g/mol. Its IUPAC name is (8S,9S,10R,13R,14S,17R)-10,13,17-trimethyl-8,9,11,12,14,15,16,17-octahydro-3H-cyclopenta[a]phenanthrene.

Molecular Properties

• Compound Name: (8S,9S,10R,13R,14S,17R)-10,13,17-trimethyl-8,9,11,12,14,15,16,17-octahydro-3H-cyclopenta[a]phenanthrene
• PubChem CID: 11492722
• Molecular Formula: C20H28
• Molecular Weight: 268.44 g/mol
• Exact Mass: 268.22
• IUPAC Name: (8S,9S,10R,13R,14S,17R)-10,13,17-trimethyl-8,9,11,12,14,15,16,17-octahydro-3H-cyclopenta[a]phenanthrene
• SMILES: C[C@@H]1CC[C@H]2[C@@H]3C=CC4=CCC=C[C@]4(C)[C@H]3CC[C@]12C
• InChI: InChI=1S/C20H28/c1-14-7-10-17-16-9-8-15-6-4-5-12-20(15,3)18(16)11-13-19(14,17)2/h5-6,8-9,12,14,16-18H,4,7,10-11,13H2,1-3H3/t14-,16+,17+,18+,19-,20+/m1/s1
• InChIKey: FZILARREKIKNEL-HRKNKHRHSA-N
• XLogP: 5.53
• TPSA: 0.00 Ų
• Heavy Atoms: 20
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	268.44
LogP ≤ 5	5.53
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	0

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of (8S,9S,10R,13R,14S,17R)-10,13,17-trimethyl-8,9,11,12,14,15,16,17-octahydro-3H-cyclopenta[a]phenanthrene?

The IUPAC name of (8S,9S,10R,13R,14S,17R)-10,13,17-trimethyl-8,9,11,12,14,15,16,17-octahydro-3H-cyclopenta[a]phenanthrene (CID 11492722) is (8S,9S,10R,13R,14S,17R)-10,13,17-trimethyl-8,9,11,12,14,15,16,17-octahydro-3H-cyclopenta[a]phenanthrene.

What is the SMILES notation for (8S,9S,10R,13R,14S,17R)-10,13,17-trimethyl-8,9,11,12,14,15,16,17-octahydro-3H-cyclopenta[a]phenanthrene?

The canonical SMILES for (8S,9S,10R,13R,14S,17R)-10,13,17-trimethyl-8,9,11,12,14,15,16,17-octahydro-3H-cyclopenta[a]phenanthrene is C[C@@H]1CC[C@H]2[C@@H]3C=CC4=CCC=C[C@]4(C)[C@H]3CC[C@]12C.

What is the InChIKey of (8S,9S,10R,13R,14S,17R)-10,13,17-trimethyl-8,9,11,12,14,15,16,17-octahydro-3H-cyclopenta[a]phenanthrene?

The InChIKey is FZILARREKIKNEL-HRKNKHRHSA-N. The full InChI is InChI=1S/C20H28/c1-14-7-10-17-16-9-8-15-6-4-5-12-20(15,3)18(16)11-13-19(14,17)2/h5-6,8-9,12,14,16-18H,4,7,10-11,13H2,1-3H3/t14-,16+,17+,18+,19-,20+/m1/s1.

What are the key properties of (8S,9S,10R,13R,14S,17R)-10,13,17-trimethyl-8,9,11,12,14,15,16,17-octahydro-3H-cyclopenta[a]phenanthrene?

(8S,9S,10R,13R,14S,17R)-10,13,17-trimethyl-8,9,11,12,14,15,16,17-octahydro-3H-cyclopenta[a]phenanthrene has a molecular weight of 268.44 g/mol, XLogP of 5.53, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.

Where does this data come from?

All data for (8S,9S,10R,13R,14S,17R)-10,13,17-trimethyl-8,9,11,12,14,15,16,17-octahydro-3H-cyclopenta[a]phenanthrene is sourced from PubChem (CID 11492722), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).