4-Pregnene-11beta,17alpha,21-triol-3,20-dione21-caprylate

Base Information

• Chemical Name: 4-Pregnene-11beta,17alpha,21-triol-3,20-dione21-caprylate
• CAS No.: 61794-22-7
• Molecular Formula: C18H22 O11 S
• Molecular Weight: 446.4257
• NSC Number: 23611
• DSSTox Substance ID: DTXSID50977374

Synonyms:61794-22-7;NSC23611;DTXSID50977374;NSC-23611;ZINC04429903;4-PREGNENE-11BETA,17ALPHA,21-TRIOL-3,20-DIONE21-CAPRYLATE;1,2-Di-O-acetyl-5-O-(methoxycarbonyl)-3-O-(4-methylbenzene-1-sulfonyl)pentofuranose

Chemical Property of 4-Pregnene-11beta,17alpha,21-triol-3,20-dione21-caprylate

Chemical Property:

• Vapor Pressure: 2.95E-12mmHg at 25°C
• Boiling Point: 552.6°Cat760mmHg
• Flash Point: 288°C
• Density: 1.41g/cm³
• XLogP3: 1.6
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 11
• Rotatable Bond Count: 11
• Exact Mass: 446.08828269
• Heavy Atom Count: 30
• Complexity: 721

Purity/Quality:

Safty Information:

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MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC1=CC=C(C=C1)S(=O)(=O)OC2C(OC(C2OC(=O)C)OC(=O)C)COC(=O)OC

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