phytocassane E

Base Information

• Chemical Name: phytocassane E
• CAS No.: 181524-78-7
• DSSTox Substance ID: DTXSID601104225
• Nikkaji Number: J796.718G
• Wikidata: Q105168020
• Metabolomics Workbench ID: 66055
• Mol file: 181524-78-7.mol

Synonyms:(+)-phytocassane E;phytocassane E;181524-78-7;DTXSID601104225;1beta-hydroxy-12,15-cassadiene-3,11-dione;Q27140067;(4R,4aS,4bS,8R,8aS,10aR)-4-hydroxy-1,1,4a,8-tetramethyl-7-vinyl-1,3,4,4a,4b,8,8a,9,10,10a-decahydrophenanthrene-2,5-dione;(4R,4aS,4bS,8R,8aS,10aR)-7-Ethenyl-1,3,4,4a,4b,8,8a,9,10,10a-decahydro-4-hydroxy-1,1,4a,8-tetramethyl-2,5-phenanthrenedione;(4R,4aS,4bS,8R,8aS,10aR)-7-ethenyl-4-hydroxy-1,1,4a,8-tetramethyl-1,3,4,4a,4b,8,8a,9,10,10a-decahydrophenanthrene-2,5-dione

Chemical Property of phytocassane E

Chemical Property:

• XLogP3: 3
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 1
• Exact Mass: 316.20384475
• Heavy Atom Count: 23
• Complexity: 600

Purity/Quality:

99.90% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

• Canonical SMILES: CC1C2CCC3C(C(=O)CC(C3(C2C(=O)C=C1C=C)C)O)(C)C
• Isomeric SMILES: C[C@@H]1[C@@H]2CC[C@@H]3[C@@]([C@H]2C(=O)C=C1C=C)([C@@H](CC(=O)C3(C)C)O)C