Quinestrol

• CAS: 152-43-2
• Catalog Number: ACM152432
• Category: Steroidal Compounds
• Molecular Weight: 364.52
• Molecular Formula: C₂₅H₃₂O₂
• Synonyms: Quinestrol; 17α-Ethynylestradiol 3-Cyclopentyl Ether; (8R,9S,13S,14S,17R)-3-cyclopentyloxy-17-ethynyl-13-methyl-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthren-17-ol
• IUPAC Name: (8R,9S,13S,14S,17R)-3-cyclopentyloxy-17-ethynyl-13-methyl-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthren-17-ol
• SMILES: CC12CCC3C(C1CCC2(C#C)O)CCC4=C3C=CC(=C4)OC5CCCC5
• InChI Key: PWZUUYSISTUNDW-VAFBSOEGSA-N
• Boiling Point: 502.5ºC at 760 mmHg
• Melting Point: 107 - 108ºC
• Flash Point: 218.8ºC
• Density: 1.15 g/cm³
• Appearance: crystals
• EC Number: 205-803-1
• Exact Mass: 364.24000
• Hazard Statements: T:Toxic
• Safety Description: S53-S22-S36/37/39-S45
• Stability: Stable at normal temperatures and pressures.
• WGK Germany: 3

Custom Q&A

What is the molecular formula of quinestrol?

The molecular formula of quinestrol is C25H32O2.

What is the molecular weight of quinestrol?

The molecular weight of quinestrol is 364.5 g/mol.

What is the IUPAC name of quinestrol?

The IUPAC name of quinestrol is (8R,9S,13S,14S,17R)-3-cyclopentyloxy-17-ethynyl-13-methyl-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthren-17-ol.

What is the InChI of quinestrol?

The InChI of quinestrol is InChI=1S/C25H32O2/c1-3-25(26)15-13-23-22-10-8-17-16-19(27-18-6-4-5-7-18)9-11-20(17)21(22)12-14-24(23,25)2/h1,9,11,16,18,21-23,26H,4-8,10,12-15H2,2H3/t21-,22-,23+,24+,25+/m1/s1.

What is the InChIKey of quinestrol?

The InChIKey of quinestrol is PWZUUYSISTUNDW-VAFBSOEGSA-N.

What is the canonical SMILES of quinestrol?

The canonical SMILES of quinestrol is CC12CCC3C(C1CCC2(C#C)O)CCC4=C3C=CC(=C4)OC5CCCC5.

What is the CAS number of quinestrol?

The CAS number of quinestrol is 152-43-2.

What is the UNII of quinestrol?

The UNII of quinestrol is JR0N7XD5GZ.

What is the ChEMBL ID of quinestrol?

The ChEMBL ID of quinestrol is CHEMBL1201165.

What is the Wikipedia page for quinestrol?

The Wikipedia page for quinestrol is "Quinestrol".