14,17-Dihydroxypregn-4-ene-3,20-dione

• CAS: 14226-13-2
• Catalog Number: ACM14226132
• Category: Steroidal Compounds
• Molecular Weight: 346.0
• Molecular Formula: C₂₁H₃₀O₄

Custom Q&A

What is the molecular formula of 14,17-Dihydroxypregn-4-ene-3,20-dione?

The molecular formula is C21H30O4.

What is the molecular weight of 14,17-Dihydroxypregn-4-ene-3,20-dione?

The molecular weight is 346.5 g/mol.

What is the IUPAC name of 14,17-Dihydroxypregn-4-ene-3,20-dione?

The IUPAC name is (8R,9S,10R,13S,17R)-17-acetyl-14,17-dihydroxy-10,13-dimethyl-1,2,6,7,8,9,11,12,15,16-decahydrocyclopenta[a]phenanthren-3-one.

What is the InChI of 14,17-Dihydroxypregn-4-ene-3,20-dione?

The InChI is InChI=1S/C21H30O4/c1-13(22)20(24)10-11-21(25)17-5-4-14-12-15(23)6-8-18(14,2)16(17)7-9-19(20,21)3/h12,16-17,24-25H,4-11H2,1-3H3/t16-,17+,18-,19+,20-,21?/m0/s1.

What is the InChIKey of 14,17-Dihydroxypregn-4-ene-3,20-dione?

The InChIKey is DTYQFBITLYZHTR-HPBCMJTOSA-N.

What is the canonical SMILES of 14,17-Dihydroxypregn-4-ene-3,20-dione?

The canonical SMILES is CC(=O)C1(CCC2(C1(CCC3C2CCC4=CC(=O)CCC34C)C)O)O.

What is the isomeric SMILES of 14,17-Dihydroxypregn-4-ene-3,20-dione?

The isomeric SMILES is CC(=O)[C@]1(CCC2([C@@]1(CC[C@H]3[C@H]2CCC4=CC(=O)CC[C@]34C)C)O)O.

What is the XLogP3-AA value of 14,17-Dihydroxypregn-4-ene-3,20-dione?

The XLogP3-AA value is 1.6.

How many hydrogen bond donors does 14,17-Dihydroxypregn-4-ene-3,20-dione have?

It has 2 hydrogen bond donors.

How many hydrogen bond acceptors does 14,17-Dihydroxypregn-4-ene-3,20-dione have?

It has 4 hydrogen bond acceptors.