Ergosta-7,24(28)-dien-6-one, 2,3,14,20,22-pentahydroxy-, (2beta,3beta,5beta,22R)-

Base Information

• Chemical Name: Ergosta-7,24(28)-dien-6-one, 2,3,14,20,22-pentahydroxy-, (2beta,3beta,5beta,22R)-
• CAS No.: 141360-89-6
• Molecular Formula: C28H44 O6
• ChEMBL ID: CHEMBL260669
• DSSTox Substance ID: DTXSID601163192
• Nikkaji Number: J458.742A
• Wikidata: Q105196726
• Mol file: 141360-89-6.mol

Synonyms:141360-89-6;Ergosta-7,24(28)-dien-6-one, 2,3,14,20,22-pentahydroxy-, (2beta,3beta,5beta,22R)-;(2S,3R,5R,9R,10R,13R,14S,17S)-17-[(2R,3R)-2,3-dihydroxy-6-methyl-5-methylideneheptan-2-yl]-2,3,14-trihydroxy-10,13-dimethyl-2,3,4,5,9,11,12,15,16,17-decahydro-1H-cyclopenta[a]phenanthren-6-one;CHEMBL260669;CHEBI:168800;DTXSID601163192;HY-N7693;AKOS040763740;AC-35122;MS-28846;CS-0135220

Chemical Property of Ergosta-7,24(28)-dien-6-one, 2,3,14,20,22-pentahydroxy-, (2beta,3beta,5beta,22R)-

Chemical Property:

• XLogP3: 2.3
• Hydrogen Bond Donor Count: 5
• Hydrogen Bond Acceptor Count: 6
• Rotatable Bond Count: 5
• Exact Mass: 476.31378912
• Heavy Atom Count: 34
• Complexity: 895

Purity/Quality:

≥98% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
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MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC(C)C(=C)CC(C(C)(C1CCC2(C1(CCC3C2=CC(=O)C4C3(CC(C(C4)O)O)C)C)O)O)O
• Isomeric SMILES: CC(C)C(=C)C[C@H]([C@@](C)([C@H]1CC[C@@]2([C@@]1(CC[C@H]3C2=CC(=O)[C@H]4[C@@]3(C[C@@H]([C@@H](C4)O)O)C)C)O)O)O

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