(7a,17a)-17-Hydroxy-3-oxo-pregna-4,9(11)-diene-7,21-dicarboxylicacid g-lactone methyl ester

• CAS: 95716-70-4
• Catalog Number: ACM95716704
• Category: Steroidal Compounds
• Molecular Weight: 398.5
• Molecular Formula: C₂₄H₃₀O₅
• Synonyms: Pregna-4,9(11)-Diene-7-21-Dicarboxylic Acid,17-Hydroxy-3-Oxo,Gamma-Lactone,Methylestor,(7a,17a)-;EPLERENONE INTERMEDIATE;PREGNA-4,9(11)-DIENE-7,21-CARBOXYLICACID,17-HDROXY-3-OXO-G-LACTONE,METHYL ESTER(7A,17A);6,pregnane 4,9(11)-7 alpha diene,21-dicarboxy
• IUPAC Name: methyl(7R,8R,10S,13S,14S,17R)-10,13-dimethyl-3,5'-dioxospiro[2,6,7,8,12,14,15,16-octahydro-1H-cyclopenta[a]phenanthrene-17,2'-oxolane]-7-carboxylate
• Canonical SMILES: CC12CCC(=O)C=C1CC(C3C2=CCC4(C3CCC45CCC(=O)O5)C)C(=O)OC
• InChI Key: GWEKWJOSBYDYDP-DPOGTSLVSA-N
• Boiling Point: 580.2ºC at 760 mmHg
• Flash Point: 251.7ºC
• Density: 1.24 g/cm³
• EC Number: 619-164-5
• Exact Mass: 398.20900

Custom Q&A

What is the molecular formula of (7a,17a)-17-Hydroxy-3-oxo-pregna-4,9(11)-diene-7,21-dicarboxylicacid g-lactone methyl ester?

The molecular formula is C24H30O5.

What are the synonyms of (7a,17a)-17-Hydroxy-3-oxo-pregna-4,9(11)-diene-7,21-dicarboxylicacid g-lactone methyl ester?

The synonyms include SCHEMBL13007062, DTXSID10914846, AKOS015964868, AC-24965.

What is the molecular weight of (7a,17a)-17-Hydroxy-3-oxo-pregna-4,9(11)-diene-7,21-dicarboxylicacid g-lactone methyl ester?

The molecular weight is 398.5 g/mol.

When was (7a,17a)-17-Hydroxy-3-oxo-pregna-4,9(11)-diene-7,21-dicarboxylicacid g-lactone methyl ester created?

It was created on June 23, 2008.

When was (7a,17a)-17-Hydroxy-3-oxo-pregna-4,9(11)-diene-7,21-dicarboxylicacid g-lactone methyl ester last modified?

It was last modified on November 25, 2023.

What is the IUPAC name of (7a,17a)-17-Hydroxy-3-oxo-pregna-4,9(11)-diene-7,21-dicarboxylicacid g-lactone methyl ester?

The IUPAC name is methyl (7R,10S,13S,17R)-10,13-dimethyl-3,5'-dioxospiro[2,6,7,8,12,14,15,16-octahydro-1H-cyclopenta[a]phenanthrene-17,2'-oxolane]-7-carboxylate.

What is the InChI of (7a,17a)-17-Hydroxy-3-oxo-pregna-4,9(11)-diene-7,21-dicarboxylicacid g-lactone methyl ester?

The InChI is InChI=1S/C24H30O5/c1-22-8-4-15(25)12-14(22)13-16(21(27)28-3)20-17(22)5-9-23(2)18(20)6-10-24(23)11-7-19(26)29-24/h5,12,16,18,20H,4,6-11,13H2,1-3H3/t16-,18?,20?,22+,23+,24-/m1/s1.

What is the InChIKey of (7a,17a)-17-Hydroxy-3-oxo-pregna-4,9(11)-diene-7,21-dicarboxylicacid g-lactone methyl ester?

The InChIKey is GWEKWJOSBYDYDP-CQPWOFQESA-N.

What is the canonical SMILES of (7a,17a)-17-Hydroxy-3-oxo-pregna-4,9(11)-diene-7,21-dicarboxylicacid g-lactone methyl ester?

The canonical SMILES is CC12CCC(=O)C=C1CC(C3C2=CCC4(C3CCC45CCC(=O)O5)C)C(=O)OC.

What is the hydrogen bond donor count of (7a,17a)-17-Hydroxy-3-oxo-pregna-4,9(11)-diene-7,21-dicarboxylicacid g-lactone methyl ester?

The hydrogen bond donor count is 0.