Con-5-enin-12-ol, 3-(dimethylamino)-, 4-methyl-3-pentenoate (ester), (3beta,12beta)-

Base Information

• Chemical Name: Con-5-enin-12-ol, 3-(dimethylamino)-, 4-methyl-3-pentenoate (ester), (3beta,12beta)-
• CAS No.: 561-21-7
• DSSTox Substance ID: DTXSID601137410
• Wikidata: Q105304562
• Metabolomics Workbench ID: 132989
• ChEMBL ID: CHEMBL364090
• Mol file: 561-21-7.mol

Synonyms:CHEMBL364090;DTXSID601137410;Con-5-enin-12-ol, 3-(dimethylamino)-, 4-methyl-3-pentenoate (ester), (3beta,12beta)-;561-21-7

Chemical Property of Con-5-enin-12-ol, 3-(dimethylamino)-, 4-methyl-3-pentenoate (ester), (3beta,12beta)-

Chemical Property:

• XLogP3: 5.9
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 5
• Exact Mass: 468.37157878
• Heavy Atom Count: 34
• Complexity: 873

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC1C2CCC3C2(CN1C)C(CC4C3CC=C5C4(CCC(C5)N(C)C)C)OC(=O)CC=C(C)C
• Isomeric SMILES: C[C@H]1[C@H]2CC[C@@H]3[C@]2(CN1C)[C@@H](C[C@H]4[C@H]3CC=C5[C@@]4(CC[C@@H](C5)N(C)C)C)OC(=O)CC=C(C)C