Equilin

• CAS: 474-86-2
• Catalog Number: ACM474862
• Category: Steroidal Compounds
• Molecular Weight: 268.35
• Molecular Formula: C₁₈H₂₀O₂
• Synonyms: (9S,13S,14S)-3-hydroxy-13-methyl-9,11,12,14,15,16-hexahydro-6H-cyclopenta[a]phenanthren-17-one; 1,3,5(10),7-Estratetraen-3-ol-17-one (3-Hydroxy-1,3,5(10),7-estratetraen-17-one; 1,3,5,7-Estratetraen-3-ol-17-one; Dihydroequilenin; 7-Dehydroestrone
• IUPAC Name: (9S,13S,14S)-3-hydroxy-13-methyl-9,11,12,14,15,16-hexahydro-6H-cyclopenta[a]phenanthren-17-one
• Canonical SMILES: CC12CCC3C(=CCC4=C3C=CC(=C4)O)C1CCC2=O
• InChI Key: WKRLQDKEXYKHJB-HFTRVMKXSA-N
• Boiling Point: 459.1ºC at 760 mmHg
• Melting Point: 238-240ºC(lit.)
• Flash Point: 195.4ºC
• Density: 1.22 g/cm³
• Appearance: plate powder, soluble in alcohol, acetone, sparingly soluble in water.
• EC Number: 207-488-6
• Exact Mass: 268.14600
• Hazard Statements: Xn: Harmful

Custom Q&A

What is the PubChem CID of Equilin?

The PubChem CID of Equilin is 223368.

What is the molecular formula of Equilin?

The molecular formula of Equilin is C18H20O2.

What is the molecular weight of Equilin?

The molecular weight of Equilin is 268.3 g/mol.

What is the IUPAC name of Equilin?

The IUPAC name of Equilin is (9S,13S,14S)-3-hydroxy-13-methyl-9,11,12,14,15,16-hexahydro-6H-cyclopenta[a]phenanthren-17-one.

What is the InChI of Equilin?

The InChI of Equilin is InChI=1S/C18H20O2/c1-18-9-8-14-13-5-3-12(19)10-11(13)2-4-15(14)16(18)6-7-17(18)20/h3-5,10,14,16,19H,2,6-9H2,1H3/t14-,16+,18+/m1/s1.

What is the InChIKey of Equilin?

The InChIKey of Equilin is WKRLQDKEXYKHJB-HFTRVMKXSA-N.

What are the synonyms of Equilin?

The synonyms of Equilin include equilin, 474-86-2, 7-Dehydroestrone, and Dihydroequilenin.

What is the CAS number of Equilin?

The CAS number of Equilin is 474-86-2.

Where is Equilin commonly found?

Equilin is commonly found in the urine of pregnant mares.

What is the XLogP3-AA value of Equilin?

The XLogP3-AA value of Equilin is 2.9.