4-Pregnen-3,20-dione 3-O-carboxymethyloxime

• Catalog Number: ACM50909892
• Product Name: 4-Pregnen-3,20-dione 3-O-carboxymethyloxime
• CAS: 50909-89-2
• Category: Steroidal Compounds
• Synonyms: Calcium 4-dodecylphenolate, CID9577191, Acetic acid, (((20-oxopregn-4-en-3-ylidene)amino)oxy)-, 50909-89-2
• IUPAC Name: 2-[(Z)-[(10R,13S,17S)-17-acetyl-10,13-dimethyl-1,2,6,7,8,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-3-ylidene]amino]oxyacetic acid
• Molecular Weight: 387.51
• Molecular Formula: C₂₃H₃₃NO₄
• InChI Key: PPELYUTTZHLIAZ-QYEPVNHZSA-N
• Exact Mass: 387.24100
• H-Bond Acceptor: 5
• H-Bond Donor: 1
• Safety Description: 22-36

Custom Q&A

What is the molecular formula of 4-Pregnen-3,20-dione 3-O-carboxymethyloxime?

The molecular formula is C23H33NO4.

What is the molecular weight of 4-Pregnen-3,20-dione 3-O-carboxymethyloxime?

The molecular weight is 387.5 g/mol.

What is the IUPAC name of 4-Pregnen-3,20-dione 3-O-carboxymethyloxime?

The IUPAC name is 2-[(Z)-[(8S,9S,10R,13S,14S,17S)-17-acetyl-10,13-dimethyl-1,2,6,7,8,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-3-ylidene]amino]oxyacetic acid.

What is the InChI of 4-Pregnen-3,20-dione 3-O-carboxymethyloxime?

The InChI is InChI=1S/C23H33NO4/c1-14(25)18-6-7-19-17-5-4-15-12-16(24-28-13-21(26)27)8-10-22(15,2)20(17)9-11-23(18,19)3/h12,17-20H,4-11,13H2,1-3H3,(H,26,27)/b24-16-/t17-,18+,19-,20-,22-,23+/m0/s1.

What is the InChIKey of 4-Pregnen-3,20-dione 3-O-carboxymethyloxime?

The InChIKey is PPELYUTTZHLIAZ-HZZOJEDPSA-N.

What is the canonical SMILES of 4-Pregnen-3,20-dione 3-O-carboxymethyloxime?

The canonical SMILES is CC(=O)C1CCC2C1(CCC3C2CCC4=CC(=NOCC(=O)O)CCC34C)C.

What is the isomeric SMILES of 4-Pregnen-3,20-dione 3-O-carboxymethyloxime?

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

What is the CAS number of 4-Pregnen-3,20-dione 3-O-carboxymethyloxime?

The CAS number is 50909-89-2.

What is the EC number of 4-Pregnen-3,20-dione 3-O-carboxymethyloxime?

The EC number is 637-143-9.

What is the XLogP3 value of 4-Pregnen-3,20-dione 3-O-carboxymethyloxime?

The XLogP3 value is 4.