4-Pregnene-17,20alpha,21-triol-3,11-dione

• CAS: 566-38-1
• Catalog Number: ACM566381
• Category: Steroidal Compounds
• Molecular Weight: 362.46
• Molecular Formula: C₂₁H₃₀O₅

Custom Q&A

What is the molecular formula of 4-Pregnene-17,20alpha,21-triol-3,11-dione?

The molecular formula is C21H30O5.

What is the molecular weight of 4-Pregnene-17,20alpha,21-triol-3,11-dione?

The molecular weight is 362.5 g/mol.

What is the IUPAC name of 4-Pregnene-17,20alpha,21-triol-3,11-dione?

The IUPAC name is (8S,9S,10R,13S,14S,17R)-17-[(1S)-1,2-dihydroxyethyl]-17-hydroxy-10,13-dimethyl-1,2,6,7,8,9,12,14,15,16-decahydrocyclopenta[a]phenanthrene-3,11-dione.

What is the InChI of 4-Pregnene-17,20alpha,21-triol-3,11-dione?

The InChI is InChI=1S/C21H30O5/c1-19-7-5-13(23)9-12(19)3-4-14-15-6-8-21(26,17(25)11-22)20(15,2)10-16(24)18(14)19/h9,14-15,17-18,22,25-26H,3-8,10-11H2,1-2H3/t14-,15-,17-,18+,19-,20-,21-/m0/s1.

What is the InChIKey of 4-Pregnene-17,20alpha,21-triol-3,11-dione?

The InChIKey is XBIDABJJGYNJTK-VDUMFTQRSA-N.

What is the canonical SMILES of 4-Pregnene-17,20alpha,21-triol-3,11-dione?

The canonical SMILES is CC12CCC(=O)C=C1CCC3C2C(=O)CC4(C3CCC4(C(CO)O)O)C.

What is the isomeric SMILES of 4-Pregnene-17,20alpha,21-triol-3,11-dione?

The isomeric SMILES is C[C@]12CCC(=O)C=C1CC[C@@H]3[C@@H]2C(=O)C[C@]4([C@H]3CC[C@@]4([C@H](CO)O)O)C.

What is the CAS number of 4-Pregnene-17,20alpha,21-triol-3,11-dione?

The CAS number is 3615-87-0.

How many hydrogen bond donor counts does 4-Pregnene-17,20alpha,21-triol-3,11-dione have?

It has 3 hydrogen bond donor counts.

How many hydrogen bond acceptor counts does 4-Pregnene-17,20alpha,21-triol-3,11-dione have?

It has 5 hydrogen bond acceptor counts.