Penitrem a

• CAS: 12627-35-9
• Catalog Number: ACM12627359
• Category: Other Products
• Molecular Weight: 634.2
• Molecular Formula: C37H44ClNO6
• Synonyms: TREMORTIN A;PENITREM A;PENITREM A, PENICILLIUM PAXILLI;penitrem A from penicillium palitans;Penitrem A fromPenicillium paxilli;Penitrem ANsc354845
• Complexity: 1420
• Defined Atom Stereocenter Count: 13
• Exact Mass: 633.2857
• Formal Charge: 0
• Hazard Statements: T+,T
• Heavy Atom Count: 45
• Hydrogen Bond Acceptor Count: 6
• Hydrogen Bond Donor Count: 4
• Isotope Atom Count: 0
• Monoisotopic Mass: 633.2857
• Rotatable Bond Count: 1
• Safety Description: 36/37/39-45
• Supplemental Hazard Statements: H300-H310-H330
• Symbol: GHS06
• Topological Polar Surface Area: 108 Ų
• XLogP3-AA: 3.8

Custom Q&A

What is the molecular formula of Penitrem A?

The molecular formula of Penitrem A is C37H44ClNO6.

What is the molecular weight of Penitrem A?

The molecular weight of Penitrem A is 634.2 g/mol.

What is the IUPAC name of Penitrem A?

The IUPAC name of Penitrem A is (1S,2R,5S,6S,8R,9S,10R,12S,15R,16S,25R,27S,28R)-21-chloro-15,16,33,33-tetramethyl-24-methylidene-10-prop-1-en-2-yl-7,11,32-trioxa-18-azadecacyclo[25.4.2.0 2,16 .0 5,15 .0 6,8 .0 6,12 .0 17,31 .0 19,30 .0 22,29 .0 25,28 ]tritriaconta-17(31),19,21,29-tetraene-5,9,28-triol.

What is the InChIKey of Penitrem A?

The InChIKey of Penitrem A is JDUWHZOLEDOQSR-JKPSMKLGSA-N.

What is the canonical SMILES of Penitrem A?

The canonical SMILES of Penitrem A is CC(=C)C1C(C2C3(O2)C(O1)CCC4(C3(CCC5C4(C6=C7C5OC(C8CC9C8(C1=C7C(=CC(=C1CC9=C)Cl)N6)O)(C)C)C)O)C)O.

What is the common CAS number of Penitrem A?

The common CAS number of Penitrem A is 12627-35-9.

What is the ChEMBL ID of Penitrem A?

The ChEMBL ID of Penitrem A is CHEMBL2374089.

What is the KEGG ID of Penitrem A?

The KEGG ID of Penitrem A is C20070.

What is the exact mass of Penitrem A?

The exact mass of Penitrem A is 633.2857158 g/mol.

What is the monoisotopic mass of Penitrem A?

The monoisotopic mass of Penitrem A is 633.2857158 g/mol.