CID 15231836

Base Information

• Chemical Name: CID 15231836
• CAS No.: 131918-62-2
• Molecular Formula: C27H44O2
• Molecular Weight: 400.64
• DSSTox Substance ID: DTXSID001100570
• Mol file: 131918-62-2.mol

Synonyms:131918-62-2;(1R,3R)-5-[(2E)-2-[(1R,3As,7aR)-1-[(E,2R,5R)-5,6-dimethylhept-3-en-2-yl]-7a-methyl-2,3,3a,5,6,7-hexahydro-1H-inden-4-ylidene]ethylidene]cyclohexane-1,3-diol;1,3-Cyclohexanediol, 5-[(2E)-2-[(1R,3aS,7aR)-octahydro-7a-methyl-1-[(1R,2E,4R)-1,4,5-trimethyl-2-hexen-1-yl]-4H-inden-4-ylidene]ethylidene]-, (1R,3R)-;DTXSID001100570;(1R,3R)-5-[(2E)-2-[(1R,3aS,7aR)-Octahydro-7a-methyl-1-[(1R,2E,4R)-1,4,5-trimethyl-2-hexen-1-yl]-4H-inden-4-ylidene]ethylidene]-1,3-cyclohexanediol

Chemical Property of CID 15231836

Chemical Property:

• XLogP3: 6.4
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 5
• Exact Mass: 400.334130642
• Heavy Atom Count: 29
• Complexity: 631

Purity/Quality:

98%Min ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

• Canonical SMILES: CC(C)C(C)C=CC(C)C1CCC2C1(CCCC2=CC=C3CC(CC(C3)O)O)C
• Isomeric SMILES: C[C@H](/C=C/[C@H](C)C(C)C)[C@H]1CC[C@@H]\2[C@@]1(CCC/C2=C\C=C3C[C@H](C[C@@H](C3)O)O)C