4-Hydroxyestrone

• Catalog Number: ACM3131235
• Product Name: 4-Hydroxyestrone
• CAS: 3131-23-5
• Category: Steroidal Compounds
• Synonyms: 4-Hydroxy Estrone; 4-HydroxyEstrone; (8R,9S,13S,14S)-3,4-dihydroxy-13-methyl-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthren-17-one
• IUPAC Name: (8R,9S,13S,14S)-3,4-dihydroxy-13-methyl-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthren-17-one
• Molecular Weight: 286.37
• Molecular Formula: C₁₈H₂₂O₃
• Canonical SMILES: CC12CCC3C(C1CCC2=O)CCC4=C3C=CC(=C4O)O
• InChI Key: XQZVQQZZOVBNLU-QDTBLXIISA-N
• Boiling Point: 468.2ºC at 760mmHg
• Melting Point: 260-263ºC
• Flash Point: 251.1ºC
• Density: 1.241g/cm³
• Exact Mass: 286.15700
• WGK Germany: 3

Custom Q&A

What is the molecular formula of 4-Hydroxyestrone?

The molecular formula of 4-Hydroxyestrone is C18H22O3.

What is the molecular weight of 4-Hydroxyestrone?

The molecular weight of 4-Hydroxyestrone is 286.4 g/mol.

What is the IUPAC name of 4-Hydroxyestrone?

The IUPAC name of 4-Hydroxyestrone is (8R,9S,13S,14S)-3,4-dihydroxy-13-methyl-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthren-17-one.

What is the InChI of 4-Hydroxyestrone?

The InChI of 4-Hydroxyestrone is InChI=1S/C18H22O3/c1-18-9-8-11-10-4-6-15(19)17(21)13(10)3-2-12(11)14(18)5-7-16(18)20/h4,6,11-12,14,19,21H,2-3,5,7-9H2,1H3/t11-,12-,14+,18+/m1/s1.

What is the InChIKey of 4-Hydroxyestrone?

The InChIKey of 4-Hydroxyestrone is XQZVQQZZOVBNLU-QDTBLXIISA-N.

What is the canonical SMILES of 4-Hydroxyestrone?

The canonical SMILES of 4-Hydroxyestrone is CC12CCC3C(C1CCC2=O)CCC4=C3C=CC(=C4O)O.

What is the CAS number of 4-Hydroxyestrone?

The CAS number of 4-Hydroxyestrone is 3131-23-5.

What is the UNII of 4-Hydroxyestrone?

The UNII of 4-Hydroxyestrone is 3MN57C55S2.

What is the ChEMBL ID of 4-Hydroxyestrone?

The ChEMBL ID of 4-Hydroxyestrone is CHEMBL1743300.

What is the Wikipedia page for 4-Hydroxyestrone?

The Wikipedia page for 4-Hydroxyestrone is "4-Hydroxyestrone".