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

C23H40O — CID 67745142

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

(5R,8S,9S,10S,13R,14S,16S)-10,13-dimethyl-16-[(2-methylpropan-2-yl)oxy]-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthrene (PubChem CID 67745142) has the molecular formula C23H40O and a molecular weight of 332.57 g/mol. Its IUPAC name is (5R,8S,9S,10S,13R,14S,16S)-10,13-dimethyl-16-[(2-methylpropan-2-yl)oxy]-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthrene.

Molecular Properties

• Compound Name: (5R,8S,9S,10S,13R,14S,16S)-10,13-dimethyl-16-[(2-methylpropan-2-yl)oxy]-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthrene
• PubChem CID: 67745142
• Molecular Formula: C23H40O
• Molecular Weight: 332.57 g/mol
• Exact Mass: 332.31
• IUPAC Name: (5R,8S,9S,10S,13R,14S,16S)-10,13-dimethyl-16-[(2-methylpropan-2-yl)oxy]-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthrene
• SMILES: CC(C)(C)O[C@H]1C[C@H]2[C@@H]3CC[C@H]4CCCC[C@]4(C)[C@H]3CC[C@]2(C)C1
• InChI: InChI=1S/C23H40O/c1-21(2,3)24-17-14-20-18-10-9-16-8-6-7-12-23(16,5)19(18)11-13-22(20,4)15-17/h16-20H,6-15H2,1-5H3/t16-,17+,18-,19+,20+,22-,23+/m1/s1
• InChIKey: WYRAZBHIMSKCJC-ZRTLTGBQSA-N
• XLogP: 6.60
• TPSA: 9.23 Ų
• H-Bond Acceptors: 1
• Rotatable Bonds: 1
• Heavy Atoms: 24
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	332.57
LogP ≤ 5	6.60
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	1

Frequently Asked Questions

What is the IUPAC name of (5R,8S,9S,10S,13R,14S,16S)-10,13-dimethyl-16-[(2-methylpropan-2-yl)oxy]-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthrene?

The IUPAC name of (5R,8S,9S,10S,13R,14S,16S)-10,13-dimethyl-16-[(2-methylpropan-2-yl)oxy]-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthrene (CID 67745142) is (5R,8S,9S,10S,13R,14S,16S)-10,13-dimethyl-16-[(2-methylpropan-2-yl)oxy]-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthrene.

What is the SMILES notation for (5R,8S,9S,10S,13R,14S,16S)-10,13-dimethyl-16-[(2-methylpropan-2-yl)oxy]-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthrene?

The canonical SMILES for (5R,8S,9S,10S,13R,14S,16S)-10,13-dimethyl-16-[(2-methylpropan-2-yl)oxy]-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthrene is CC(C)(C)O[C@H]1C[C@H]2[C@@H]3CC[C@H]4CCCC[C@]4(C)[C@H]3CC[C@]2(C)C1.

What is the InChIKey of (5R,8S,9S,10S,13R,14S,16S)-10,13-dimethyl-16-[(2-methylpropan-2-yl)oxy]-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthrene?

The InChIKey is WYRAZBHIMSKCJC-ZRTLTGBQSA-N. The full InChI is InChI=1S/C23H40O/c1-21(2,3)24-17-14-20-18-10-9-16-8-6-7-12-23(16,5)19(18)11-13-22(20,4)15-17/h16-20H,6-15H2,1-5H3/t16-,17+,18-,19+,20+,22-,23+/m1/s1.

What are the key properties of (5R,8S,9S,10S,13R,14S,16S)-10,13-dimethyl-16-[(2-methylpropan-2-yl)oxy]-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthrene?

(5R,8S,9S,10S,13R,14S,16S)-10,13-dimethyl-16-[(2-methylpropan-2-yl)oxy]-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthrene has a molecular weight of 332.57 g/mol, XLogP of 6.60, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.

Where does this data come from?

All data for (5R,8S,9S,10S,13R,14S,16S)-10,13-dimethyl-16-[(2-methylpropan-2-yl)oxy]-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthrene is sourced from PubChem (CID 67745142), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).