Ergost-7-en-6-one, 2,3,14,20,22-pentahydroxy-, (2beta,3beta,5beta,22R)-

Base Information

• Chemical Name: Ergost-7-en-6-one, 2,3,14,20,22-pentahydroxy-, (2beta,3beta,5beta,22R)-
• CAS No.: 141360-88-5
• Molecular Formula: C28H46 O6
• DSSTox Substance ID: DTXSID301198134
• Nikkaji Number: J458.741C
• Wikidata: Q77496649
• Metabolomics Workbench ID: 108761
• Mol file: 141360-88-5.mol

Synonyms:141360-88-5;Ergost-7-en-6-one, 2,3,14,20,22-pentahydroxy-, (2beta,3beta,5beta,22R)-;(2S,3R,5R,9R,10R,13R,14S,17S)-17-[(2R,3R,5S)-2,3-dihydroxy-5,6-dimethylheptan-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;CHEBI:176164;DTXSID301198134;HY-N7692;AKOS040763739;FS-7303;AC-35121;CS-0135219;(2beta,3beta,5beta,22R)-2,3,14,20,22-Pentahydroxyergost-7-en-6-one

Chemical Property of Ergost-7-en-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: 478.32943918
• Heavy Atom Count: 34
• Complexity: 854

Purity/Quality:

≥98% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

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: C[C@@H](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)C(C)C