3-[2-[(6S,8S,9S,10R,11S,13S,14S,17R)-11,17-dihydroxy-6,10,13-trimethyl-3-oxo-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthren-17-yl]-2-oxoethoxy]carbonyl-2-ethylpentanoic acid

Base Information

• Chemical Name: 3-[2-[(6S,8S,9S,10R,11S,13S,14S,17R)-11,17-dihydroxy-6,10,13-trimethyl-3-oxo-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthren-17-yl]-2-oxoethoxy]carbonyl-2-ethylpentanoic acid
• CAS No.: 1110-28-7
• Molecular Formula: C30H42 O8
• Molecular Weight: 530.6497
• NSC Number: 85997
• DSSTox Substance ID: DTXSID10911936
• Mol file: 1110-28-7.mol

Synonyms:1110-28-7;NSC85997;DTXSID10911936;NSC-85997;3-{[(11,17-Dihydroxy-6-methyl-3,20-dioxopregna-1,4-dien-21-yl)oxy]carbonyl}-2-ethylpentanoic acid

Chemical Property of 3-[2-[(6S,8S,9S,10R,11S,13S,14S,17R)-11,17-dihydroxy-6,10,13-trimethyl-3-oxo-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthren-17-yl]-2-oxoethoxy]carbonyl-2-ethylpentanoic acid

Chemical Property:

• Vapor Pressure: 3.46E-23mmHg at 25°C
• Boiling Point: 708.3°C at 760 mmHg
• Flash Point: 227.1°C
• Density: 1.25g/cm³
• XLogP3: 4
• Hydrogen Bond Donor Count: 3
• Hydrogen Bond Acceptor Count: 8
• Rotatable Bond Count: 9
• Exact Mass: 530.28796829
• Heavy Atom Count: 38
• Complexity: 1080

Purity/Quality:

98%min ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCC(C(CC)C(=O)OCC(=O)C1(CCC2C1(CC(C3C2CC(C4=CC(=O)C=CC34C)C)O)C)O)C(=O)O
• Isomeric SMILES: CCC(C(CC)C(=O)OCC(=O)[C@]1(CC[C@@H]2[C@@]1(C[C@@H]([C@H]3[C@H]2C[C@@H](C4=CC(=O)C=C[C@]34C)C)O)C)O)C(=O)O