Petasitenine

• CAS: 60102-37-6
• Catalog Number: ACM60102376
• Category: Other Products
• Molecular Weight: 381.4
• Molecular Formula: C19H27NO7
• Synonyms: (15R,20R)-15,20-Epoxy-15,20-dihydro-12-hydroxy-4-methyl-4,8-secosenecionan-8,11,16-trione
• IUPAC Name: (1R,3R,4R,6R,7R,11Z)-7-hydroxy-3,6,7,14-tetramethylspiro[2,9-dioxa-14-azabicyclo[9.5.1]heptadec-11-ene-4,2-oxirane]-3,8,17-trione
• InChI: InChI=1S/C19H27NO7/c1-11-9-19(12(2)27-19)17(23)26-14-6-8-20(4)7-5-13(15(14)21)10-25-16(22)18(11,3)24/h5,11-12,14,24H,6-10H2,1-4H3/b13-5-/t11-,12-,14-,18-,19-/m1/s1
• InChI Key: CZQLULNMKQAIQL-PFDMWMSASA-N
• Boiling Point: 614.7ºC at 760 mmHg
• Melting Point: 129.5 °C
• Flash Point: 325.6ºC
• Density: 1.29g/cm³
• Complexity: 690
• Covalently-Bonded Unit Count: 1
• Defined Atom Stereocenter Count: 5
• Exact Mass: 381.1787522
• H-Bond Acceptor: 8
• H-Bond Donor: 1
• Heavy Atom Count: 27
• Hydrogen Bond Acceptor Count: 8
• Hydrogen Bond Donor Count: 1
• Isomeric SMILES: C[C@@H]1C[C@@]2([C@H](O2)C)C(=O)O[C@@H]3CCN(C/C=C(\C3=O)/COC(=O)[C@]1(C)O)C
• Monoisotopic Mass: 381.1787522
• Packing Group: III
• Physical State: Powder
• Rotatable Bond Count: 0
• Topological Polar Surface Area: 106 Ų

Custom Q&A

What is the product name of the chemical compound with the CAS number 60102-37-6?

The product name is Petasitenine.

What are some synonyms for Petasitenine?

Some synonyms include Petasitenine, PETASITINENE, Fukinotoxin, and C10359.

What is the molecular formula of Petasitenine?

The molecular formula is C19H27NO7.

What is the molecular weight of Petasitenine?

The molecular weight is 381.42.

What is the melting point of Petasitenine?

The melting point is 129.5°C.

What is the boiling point of Petasitenine?

The boiling point is estimated to be 508.82°C.

What is the hazard class of Petasitenine according to safety information?

The hazard class is 6.1(b).

What is the Toxicity of Petasitenine?

The toxicity is mma-sat 1 mg/plate MUREAV 68,211,79.

What is a common source of petasitenine?

Petasitenine occurs in Petasites japonicus Maxim.

What is a safety concern related to Petasitenine?

It is a questionable carcinogen with experimental carcinogenic data.