1,4-Androstadien-3,17-dione 17-ethyleneketal

• CAS: 2398-63-2
• Catalog Number: ACM2398632
• Category: Steroidal Compounds
• Molecular Weight: 328.45
• Molecular Formula: C₂₁H₂₈O₃

Custom Q&A

What is the molecular formula of 1,4-Androstadien-3,17-dione 17-ethyleneketal?

The molecular formula is C21H28O3.

What are the synonyms of 1,4-Androstadien-3,17-dione 17-ethyleneketal?

The synonyms are (8R,9S,10R,13S,14S)-10,13-Dimethyl-7,8,9,10,11,12,13,14,15,16-decahydrospiro[cyclopenta[a]phenanthrene-17,2'-[1,3]dioxolan]-3(6H)-one.

What is the molecular weight of 1,4-Androstadien-3,17-dione 17-ethyleneketal?

The molecular weight is 328.4 g/mol.

What is the IUPAC name of 1,4-Androstadien-3,17-dione 17-ethyleneketal?

The IUPAC name is (8'R,9'R,10'R,13'S,14'S)-10',13'-dimethylspiro[1,3-dioxolane-2,17'-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthrene]-3'-one.

What is the InChI of 1,4-Androstadien-3,17-dione 17-ethyleneketal?

The InChI is InChI=1S/C21H28O3/c1-19-8-5-15(22)13-14(19)3-4-16-17(19)6-9-20(2)18(16)7-10-21(20)23-11-12-24-21/h5,8,13,16-18H,3-4,6-7,9-12H2,1-2H3/t16-,17-,18+,19+,20+/m1/s1.

What is the InChIKey of 1,4-Androstadien-3,17-dione 17-ethyleneketal?

The InChIKey is AOYBIWCQSGSYJF-SLHNCBLASA-N.

What is the canonical SMILES of 1,4-Androstadien-3,17-dione 17-ethyleneketal?

The canonical SMILES is CC12CCC3C(C1CCC24OCCO4)CCC5=CC(=O)C=CC35C.

What is the isomeric SMILES of 1,4-Androstadien-3,17-dione 17-ethyleneketal?

The isomeric SMILES is C[C@]12CC[C@@H]3[C@H]([C@@H]1CCC24OCCO4)CCC5=CC(=O)C=C[C@]35C.

What is the XLogP3-AA value of 1,4-Androstadien-3,17-dione 17-ethyleneketal?

The XLogP3-AA value is 3.6.

What is the hydrogen bond donor count of 1,4-Androstadien-3,17-dione 17-ethyleneketal?

The hydrogen bond donor count is 0.