3-Deoxyestrone

• CAS: 53-45-2
• Catalog Number: ACM53452
• Category: Steroidal Compounds
• Molecular Weight: 254.36668
• Molecular Formula: C₁₈H₂₂O
• Synonyms: 3-deoxyoestrone;adopron;agrestin;deoxyestrone;desoxyestrone;estra-1,3,5(10)-trien-17-one;estratrien-17-one;(8R,9S,13S,14S)-13-methyl-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthren-17-one
• IUPAC Name: (8R,9S,13S,14S)-13-methyl-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthren-17-one
• Canonical SMILES: CC12CCC3C(C1CCC2=O)CCC4=CC=CC=C34
• InChI Key: LGHBWDKMGOIZKH-CBZIJGRNSA-N
• Boiling Point: 387ºC at 760mmHg
• Flash Point: 167.8ºC
• Density: 1.088g/cm³
• Exact Mass: 254.16700
• H-Bond Acceptor: 1
• H-Bond Donor: 0

Custom Q&A

What is the molecular formula of 3-Deoxyestrone?

The molecular formula of 3-Deoxyestrone is C18H22O.

What is the molecular weight of 3-Deoxyestrone?

The molecular weight of 3-Deoxyestrone is 254.4 g/mol.

What is the IUPAC name of 3-Deoxyestrone?

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

What is the InChI of 3-Deoxyestrone?

The InChI of 3-Deoxyestrone is InChI=1S/C18H22O/c1-18-11-10-14-13-5-3-2-4-12(13)6-7-15(14)16(18)8-9-17(18)19/h2-5,14-16H,6-11H2,1H3/t14-,15-,16+,18+/m1/s1.

What is the InChIKey of 3-Deoxyestrone?

The InChIKey of 3-Deoxyestrone is LGHBWDKMGOIZKH-CBZIJGRNSA-N.

What are the synonyms of 3-Deoxyestrone?

The synonyms of 3-Deoxyestrone are Adopron, 53-45-2, Deoxyestrone, Desoxyestrone, and more.

What is the XLogP3 value of 3-Deoxyestrone?

The XLogP3 value of 3-Deoxyestrone is 3.5.

How many hydrogen bond donor counts does 3-Deoxyestrone have?

3-Deoxyestrone has 0 hydrogen bond donor counts.

How many hydrogen bond acceptor counts does 3-Deoxyestrone have?

3-Deoxyestrone has 1 hydrogen bond acceptor count.

How many rotatable bond counts does 3-Deoxyestrone have?

3-Deoxyestrone has 0 rotatable bond counts.