Estradiene dione-3-keta

• Catalog Number: ACM5571368
• Product Name: Estradiene dione-3-keta
• CAS: 5571-36-8
• Category: Steroidal Compounds
• Synonyms: Estradiene dione-3-keta
• IUPAC Name: (8S,13S,14S)-13-methylspiro[1,2,4,6,7,8,12,14,15,16-decahydrocyclopenta[a]phenanthrene-3,2'-1,3-dioxolane]-17-one
• Molecular Weight: 314.42
• Molecular Formula: C₂₀H₂₆O₃
• Canonical SMILES: CC12CC=C3C(C1CCC2=O)CCC4=C3CCC5(C4)OCCO5
• InChI Key: XUOQKQRMICQUQC-AOIWGVFYSA-N
• Boiling Point: 488.1ºC at 760 mmHg
• Melting Point: 152-154ºC
• Flash Point: 241.2ºC
• Density: 1.2 g/cm³
• Appearance: off-white solid
• EC Number: 611-306-4
• Exact Mass: 314.18800

Custom Q&A

What is the molecular formula of Estradiene dione-3-keta?

The molecular formula is C20H26O3.

What is the molecular weight of Estradiene dione-3-keta?

The molecular weight is 314.4 g/mol.

What is the IUPAC name of Estradiene dione-3-keta?

The IUPAC name is (8S,13S,14S)-13-methylspiro[1,2,4,6,7,8,12,14,15,16-decahydrocyclopenta[a]phenanthrene-3,2'-1,3-dioxolane]-17-one.

What is the InChI of Estradiene dione-3-keta?

The InChI is InChI=1S/C20H26O3/c1-19-8-6-15-14-7-9-20(22-10-11-23-20)12-13(14)2-3-16(15)17(19)4-5-18(19)21/h6,16-17H,2-5,7-12H2,1H3/t16-,17+,19+/m1/s1.

What is the InChIKey of Estradiene dione-3-keta?

The InChIKey is XUOQKQRMICQUQC-AOIWGVFYSA-N.

What is the canonical SMILES of Estradiene dione-3-keta?

The canonical SMILES is CC12CC=C3C(C1CCC2=O)CCC4=C3CCC5(C4)OCCO5.

What is the isomeric SMILES of Estradiene dione-3-keta?

The isomeric SMILES is C[C@]12CC=C3[C@H]([C@@H]1CCC2=O)CCC4=C3CCC5(C4)OCCO5.

What is the CAS number of Estradiene dione-3-keta?

The CAS number is 5571-36-8.

What is the European Community (EC) number of Estradiene dione-3-keta?

The European Community (EC) number is 427-230-8.