17a-Methyl-1,4,6-androstatriene-17-ol-3-one

• CAS: 28816-02-6
• Catalog Number: ACM28816026
• Category: Steroidal Compounds
• Molecular Weight: 298.42
• Molecular Formula: C₂₀H₂₆O₂
• Synonyms: 17a-17B-Hydroxyandrosta-1,4,6-trien-3-one;17α-METHYL-1,4,6-ANDROSTARIENE-17β-OL-3-ONE;17A-METHYL-17SS-HYDROXY-ANDROSTA-1,4,6-TRIEN-3-ONE
• IUPAC Name: (8R,9S,10R,13S,14S)-17-hydroxy-10,13,17-trimethyl-9,11,12,14,15,16-hexahydro-8H-cyclopenta[a]phenanthren-3-one
• Canonical SMILES: CC12CCC3C(C1CCC2(C)O)C=CC4=CC(=O)C=CC34C
• InChI Key: KHBNWZGCDWWANS-QYLPRCTNSA-N
• Boiling Point: 453.1ºC at 760mmHg
• Flash Point: 193ºC
• Density: 1.14g/cm³
• Exact Mass: 298.19300
• H-Bond Acceptor: 2
• H-Bond Donor: 1

Custom Q&A

What is the molecular formula of the compound with PubChem CID 18594071?

The molecular formula is C20H26O2.

What is the molecular weight of the compound?

The molecular weight is 298.4 g/mol.

What is the IUPAC name of the compound?

The IUPAC name is (8R,9S,10R,13S,14S,17S)-17-hydroxy-10,13,17-trimethyl-9,11,12,14,15,16-hexahydro-8H-cyclopenta[a]phenanthren-3-one.

What is the InChIKey of the compound?

The InChIKey is KHBNWZGCDWWANS-HLXURNFRSA-N.

How many hydrogen bond donor counts does the compound have?

The compound has 1 hydrogen bond donor count.

What is the XLogP3-AA value of the compound?

The XLogP3-AA value is 3.5.

How many defined atom stereocenter counts does the compound have?

The compound has 6 defined atom stereocenter counts.

What is the topological polar surface area of the compound?

The topological polar surface area is 37.3Ų.

Is the compound canonicalized?

Yes, the compound is canonicalized.

What is the exact mass and monoisotopic mass of the compound?

The exact mass and monoisotopic mass are both 298.193280068 g/mol.