4-Pregnen-7alpha-ol-3,20-dione

• CAS: 27534-93-6
• Catalog Number: ACM27534936
• Category: Steroidal Compounds
• Molecular Weight: 330.46
• Molecular Formula: C₂₁H₃₀O₃

Custom Q&A

What is the molecular formula of 4-Pregnen-7alpha-ol-3,20-dione?

The molecular formula is C21H30O3.

What is the molecular weight of 4-Pregnen-7alpha-ol-3,20-dione?

The molecular weight is 330.5 g/mol.

What is the IUPAC name of 4-Pregnen-7alpha-ol-3,20-dione?

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

What is the InChI code of 4-Pregnen-7alpha-ol-3,20-dione?

The InChI code is InChI=1S/C21H30O3/c1-12(22)15-4-5-16-19-17(7-9-21(15,16)3)20(2)8-6-14(23)10-13(20)11-18(19)24/h10,15-19,24H,4-9,11H2,1-3H3/t15-,16+,17+,18-,19+,20+,21-/m1/s1.

What is the InChIKey of 4-Pregnen-7alpha-ol-3,20-dione?

The InChIKey is QRDYCDIUGUAUBZ-SRWWVFQWSA-N.

What is the canonical SMILES of 4-Pregnen-7alpha-ol-3,20-dione?

The canonical SMILES is CC(=O)C1CCC2C1(CCC3C2C(CC4=CC(=O)CCC34C)O)C.

What is the isomeric SMILES of 4-Pregnen-7alpha-ol-3,20-dione?

The isomeric SMILES is CC(=O)[C@H]1CC[C@@H]2[C@@]1(CC[C@H]3[C@H]2[C@@H](CC4=CC(=O)CC[C@]34C)O)C.

How many hydrogen bond donor count does 4-Pregnen-7alpha-ol-3,20-dione have?

It has 1 hydrogen bond donor count.

How many hydrogen bond acceptor count does 4-Pregnen-7alpha-ol-3,20-dione have?

It has 3 hydrogen bond acceptor count.

How many rotatable bond count does 4-Pregnen-7alpha-ol-3,20-dione have?

It has 1 rotatable bond count.