4-Androsten-3,6,17-trione

• CAS: 2243-06-3
• Catalog Number: ACM2243063
• Category: Steroidal Compounds
• Molecular Weight: 300.39
• Molecular Formula: C₁₉H₂₄O₃
• Synonyms: 4-ANDROSTEN-3,6,17-TRIONE;4-ANDROSTENE-3,6,17-TRIONE;ANDROST-4-ENE-3,6,17-TRIONE;4-Androstenetrione;4-Androstenetriol;(8R,9S,10R,13S,14S)-10,13-dimethyl-1,2,7,8,9,11,12,14,15,16-decahydrocyclopenta[a]phenanthrene-3,6,17-trione
• IUPAC Name: (8R,9S,10R,13S,14S)-10,13-dimethyl-1,2,7,8,9,11,12,14,15,16-decahydrocyclopenta[a]phenanthrene-3,6,17-trione
• Canonical SMILES: CC12CCC3C(C1CCC2=O)CC(=O)C4=CC(=O)CCC34C
• InChI Key: PJMNEPMSGCRSRC-IEVKOWOJSA-N
• Boiling Point: 460ºC at 760mmHg
• Melting Point: 223-224ºC
• Flash Point: 198.5ºC
• Density: 1.18
• Appearance: Yellow Solid
• Exact Mass: 300.17300

Custom Q&A

What is the molecular formula of 4-Androsten-3,6,17-trione?

The molecular formula of 4-Androsten-3,6,17-trione is C19H24O3.

What are the synonyms of 4-Androsten-3,6,17-trione?

The synonyms of 4-Androsten-3,6,17-trione are Androst-4-ene-3,6,17-trione and 6-OXO.

What is the molecular weight of 4-Androsten-3,6,17-trione?

The molecular weight of 4-Androsten-3,6,17-trione is 300.4 g/mol.

When was 4-Androsten-3,6,17-trione created and modified?

4-Androsten-3,6,17-trione was created on August 8, 2005, and last modified on November 25, 2023.

What is the IUPAC name of 4-Androsten-3,6,17-trione?

The IUPAC name of 4-Androsten-3,6,17-trione is (8R,9S,10R,13S,14S)-10,13-dimethyl-1,2,7,8,9,11,12,14,15,16-decahydrocyclopenta[a]phenanthrene-3,6,17-trione.

What is the InChI of 4-Androsten-3,6,17-trione?

The InChI of 4-Androsten-3,6,17-trione is InChI=1S/C19H24O3/c1-18-7-5-11(20)9-15(18)16(21)10-12-13-3-4-17(22)19(13,2)8-6-14(12)18/h9,12-14H,3-8,10H2,1-2H3/t12-,13-,14-,18+,19-/m0/s1.

What is the InChIKey of 4-Androsten-3,6,17-trione?

The InChIKey of 4-Androsten-3,6,17-trione is PJMNEPMSGCRSRC-IEVKOWOJSA-N.

What are the computed properties of 4-Androsten-3,6,17-trione?

The computed properties of 4-Androsten-3,6,17-trione include molecular weight, XLogP3-AA, hydrogen bond donor count, hydrogen bond acceptor count, rotatable bond count, exact mass, monoisotopic mass, topological polar surface area, heavy atom count, formal charge, complexity, isotope atom count, defined atom stereocenter count, undefined atom stereocenter count, defined bond stereocenter count, and undefined bond stereocenter count.

What is the CAS number of 4-Androsten-3,6,17-trione?

The CAS number of 4-Androsten-3,6,17-trione is 2243-06-3.

What is the UNII of 4-Androsten-3,6,17-trione?

The UNII of 4-Androsten-3,6,17-trione is L8L0381OBP.