Caprospinol

Base Information

• Chemical Name: Caprospinol
• CAS No.: 4952-56-1
• Molecular Formula: C33H52O4
• Molecular Weight: 512.8
• UNII: 9BU4T267E4
• Nikkaji Number: J2.343.184J
• Wikidata: Q27272334
• Metabolomics Workbench ID: 149431
• Mol file: 4952-56-1.mol

Synonyms:(22R, 25R)-20alpha-spirost-5-en-3beta-yl hexanoate;(22R,25R)-20 alpha-spirost-5-en-3beta-yl hexanoate;caprospinol;diosgenin-3-caproate;SP-233

Chemical Property of Caprospinol

Chemical Property:

• XLogP3: 8.2
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 6
• Exact Mass: 512.38656014
• Heavy Atom Count: 37
• Complexity: 912

Purity/Quality:

99% ^*data from raw suppliers

Safty Information:

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MSDS Files:

Useful:

• Canonical SMILES: CCCCCC(=O)OC1CCC2(C3CCC4(C(C3CC=C2C1)CC5C4C(C6(O5)CCC(CO6)C)C)C)C
• Isomeric SMILES: CCCCCC(=O)O[C@H]1CC[C@@]2([C@H]3CC[C@]4([C@H]([C@@H]3CC=C2C1)C[C@H]5[C@@H]4[C@@H]([C@]6(O5)CC[C@H](CO6)C)C)C)C

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