Card-20(22)-enolide, 3,14-dihydroxy-, 3-ester with N-(2,2-dimethyl-1-oxopropoxy)methylalanine

Base Information

• Chemical Name: Card-20(22)-enolide, 3,14-dihydroxy-, 3-ester with N-(2,2-dimethyl-1-oxopropoxy)methylalanine
• CAS No.: 81072-26-6
• Molecular Formula: C32H49NO7
• Molecular Weight: 559.734
• Mol file: 81072-26-6.mol

Synonyms:Card-20(22)-enolide, 3,14-dihydroxy-, 3-ester with N-(2,2-dimethyl-1-oxopropoxy)methylalanine;81072-26-6;Alanine, N-(carboxymethyl)-, N-tert-butyl ester, 3-ester with 3-beta,14-dihydroxy-5-beta-card-20(22)-enolide, L-;C32-H49-N-O7;LS-15929

Chemical Property of Card-20(22)-enolide, 3,14-dihydroxy-, 3-ester with N-(2,2-dimethyl-1-oxopropoxy)methylalanine

Chemical Property:

• Vapor Pressure: 2.23E-20mmHg at 25°C
• Boiling Point: 662.6°Cat760mmHg
• Flash Point: 354.5°C
• PSA: 111.16000
• Density: 1.19g/cm³
• LogP: 5.07100
• XLogP3: 4.6
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 8
• Rotatable Bond Count: 9
• Exact Mass: 559.35090290
• Heavy Atom Count: 40
• Complexity: 1060

Purity/Quality:

Safty Information:

• Pictogram(s):  
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MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC(C(=O)OC1CCC2(C(C1)CCC3C2CCC4(C3(CCC4C5=CC(=O)OC5)O)C)C)NCOC(=O)C(C)(C)C
• Isomeric SMILES: C[C@@H](C(=O)OC1CC[C@@]2([C@H]3CC[C@@]4([C@H](CCC4([C@@H]3CCC2C1)O)C5=CC(=O)OC5)C)C)NCOC(=O)C(C)(C)C

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