4-Pregnene-20b-carboxaldehyde-3-one

• CAS: 66289-21-2
• Catalog Number: ACM66289212
• Category: Steroidal Compounds
• Molecular Weight: 328.49
• Molecular Formula: C₂₂H₃₂O₂

Custom Q&A

What is the molecular formula of 4-Pregnene-20b-carboxaldehyde-3-one?

The molecular formula is C22H32O2.

What is the PubChem CID of 4-Pregnene-20b-carboxaldehyde-3-one?

The PubChem CID is 11461614.

What is the molecular weight of 4-Pregnene-20b-carboxaldehyde-3-one?

The molecular weight is 328.5 g/mol.

What is the IUPAC name of 4-Pregnene-20b-carboxaldehyde-3-one?

The IUPAC name is (2R)-2-[(8S,9S,10R,13S,14S,17R)-10,13-dimethyl-3-oxo-1,2,6,7,8,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-17-yl]propanal.

What is the InChI of 4-Pregnene-20b-carboxaldehyde-3-one?

The InChI is InChI=1S/C22H32O2/c1-14(13-23)18-6-7-19-17-5-4-15-12-16(24)8-10-21(15,2)20(17)9-11-22(18,19)3/h12-14,17-20H,4-11H2,1-3H3/t14-,17-,18+,19-,20-,21-,22+/m0/s1.

What is the InChIKey of 4-Pregnene-20b-carboxaldehyde-3-one?

The InChIKey is XVPJEGGIGJLDQK-IJDPAOOOSA-N.

What is the canonical SMILES of 4-Pregnene-20b-carboxaldehyde-3-one?

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

How many hydrogen bond donor counts does 4-Pregnene-20b-carboxaldehyde-3-one have?

It has 0 hydrogen bond donor counts.

What is the topological polar surface area of 4-Pregnene-20b-carboxaldehyde-3-one?

The topological polar surface area is 34.1Ų.

How many defined atom stereocenters does 4-Pregnene-20b-carboxaldehyde-3-one have?

It has 7 defined atom stereocenters.