penitrem D

Base Information

• Chemical Name: penitrem D
• CAS No.: 78213-64-6
• Deprecated CAS: 79104-73-7
• Molecular Formula: C37H45NO4
• Molecular Weight: 567.769
• UNII: DUM28TRA2Z
• DSSTox Substance ID: DTXSID90999454
• Nikkaji Number: J362.283E
• Wikidata: Q82992498
• Metabolomics Workbench ID: 100819
• ChEMBL ID: CHEMBL3900152
• Mol file: 78213-64-6.mol

Synonyms:penitrem A;penitrem B;penitrem D;penitrem E;penitrems;tremortin;tremortin A;tremortin B

Chemical Property of penitrem D

Chemical Property:

• XLogP3: 4.7
• Hydrogen Bond Donor Count: 3
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 1
• Exact Mass: 567.33485892
• Heavy Atom Count: 42
• Complexity: 1290

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

• Canonical SMILES: CC(=C)C1C(C=C2C(O1)CCC3(C2(CCC4C3(C5=C6C4OC(C7CC8C7C9=C(CC8=C)C=CC(=C96)N5)(C)C)C)O)C)O
• Isomeric SMILES: CC(=C)[C@@H]1[C@@H](C=C2[C@@H](O1)CC[C@]3([C@]2(CC[C@@H]4[C@@]3(C5=C6[C@H]4OC([C@H]7C[C@H]8[C@@H]7C9=C(CC8=C)C=CC(=C96)N5)(C)C)C)O)C)O