Petasitenine

Catalog Number	ACM60102376
CAS Number	60102-37-6
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
Molecular Weight	381.4
Molecular Formula	C19H27NO7
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
Purity	95%+
Density	1.29g/cm³
Complexity	690
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	5
Exact Mass	381.1787522
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
PhysicalState	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.

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