Estrone 3-methyl ether

• Catalog Number: ACM1624620
• Product Name: Estrone 3-methyl ether
• CAS: 1624-62-0
• Category: Steroidal Compounds
• Synonyms: Estrone 3-methyl ether; 3-Methoxyestrone
• IUPAC Name: (8R,9S,13S,14S)-3-methoxy-13-methyl-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthren-17-one
• Molecular Weight: 284.39
• Molecular Formula: C₁₉H₂₄O₂
• Canonical SMILES: CC12CCC3C(C1CCC2=O)CCC4=C3C=CC(=C4)OC
• InChI Key: BCWWDWHFBMPLFQ-VXNCWWDNSA-N
• Boiling Point: 427.4ºC at 760 mmHg
• Melting Point: 167.5-169.5ºC
• Flash Point: 183.6ºC
• Density: 1.103 g/cm³
• Appearance: White crystalline powder
• EC Number: 216-613-3
• Exact Mass: 284.17800
• Hazard Statements: Xn:Harmful
• Safety Description: S22-S36

Custom Q&A

What is the molecular formula of Estrone 3-methyl ether?

The molecular formula of Estrone 3-methyl ether is C19H24O2.

What is the molecular weight of Estrone 3-methyl ether?

The molecular weight of Estrone 3-methyl ether is 284.4 g/mol.

What is the IUPAC Name of Estrone 3-methyl ether?

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

What is the InChI of Estrone 3-methyl ether?

The InChI of Estrone 3-methyl ether is InChI=1S/C19H24O2/c1-19-10-9-15-14-6-4-13(21-2)11-12(14)3-5-16(15)17(19)7-8-18(19)20/h4,6,11,15-17H,3,5,7-10H2,1-2H3/t15-,16-,17+,19+/m1/s1.

What is the InChIKey of Estrone 3-methyl ether?

The InChIKey of Estrone 3-methyl ether is BCWWDWHFBMPLFQ-VXNCWWDNSA-N.

What is the Canonical SMILES of Estrone 3-methyl ether?

The Canonical SMILES of Estrone 3-methyl ether is CC12CCC3C(C1CCC2=O)CCC4=C3C=CC(=C4)OC.

What is the Isomeric SMILES of Estrone 3-methyl ether?

The Isomeric SMILES of Estrone 3-methyl ether is C[C@]12CC[C@H]3[C@H]([C@@H]1CCC2=O)CCC4=C3C=CC(=C4)OC.

What is the CAS number of Estrone 3-methyl ether?

The CAS number of Estrone 3-methyl ether is 1624-62-0.

What is the XLogP3 value of Estrone 3-methyl ether?

The XLogP3 value of Estrone 3-methyl ether is 3.5.