5H,14H-Pyrrolo(1,2:4,5)pyrazino(1,2:1,6)pyrido(3,4-b)indole-5,14-dione, 1,2,3,5a,6,11,12,14a-octahydro-5a,6-dihydroxy-12-(2-hydroxy-2-methylpropyl)-9-methoxy-, (5aR-(5a-alpha,6a-alpha,12-beta,14a-alph

Modify Date: 2024-07-19 11:08:39

5H,14H-Pyrrolo(1,2:4,5)pyrazino(1,2:1,6)pyrido(3,4-b)indole-5,14-dione, 1,2,3,5a,6,11,12,14a-octahydro-5a,6-dihydroxy-12-(2-hydroxy-2-methylpropyl)-9-methoxy-, (5aR-(5a-alpha,6a-alpha,12-beta,14a-alph structure	Common Name	5H,14H-Pyrrolo(1,2:4,5)pyrazino(1,2:1,6)pyrido(3,4-b)indole-5,14-dione, 1,2,3,5a,6,11,12,14a-octahydro-5a,6-dihydroxy-12-(2-hydroxy-2-methylpropyl)-9-methoxy-, (5aR-(5a-alpha,6a-alpha,12-beta,14a-alph
	CAS Number	51177-07-2	Molecular Weight	429.46600
	Density	1.52g/cm3	Boiling Point	756.1ºC at 760 mmHg
	Molecular Formula	C₂₂H₂₇N₃O₆	Melting Point	N/A
	MSDS	N/A	Flash Point	411.1ºC

Name	TR-2 Mycotoxin
Synonym	More Synonyms

Density	1.52g/cm3
Boiling Point	756.1ºC at 760 mmHg
Molecular Formula	C₂₂H₂₇N₃O₆
Molecular Weight	429.46600
Flash Point	411.1ºC
Exact Mass	429.19000
PSA	126.33000
LogP	0.82320
Index of Refraction	1.718
InChIKey	PIWNJAZCHHBADQ-MECALSEWSA-N
SMILES	COc1ccc2c3c([nH]c2c1)C(CC(C)(C)O)N1C(=O)C2CCCN2C(=O)C1(O)C3O

CHEMICAL IDENTIFICATION

RTECS NUMBER :: UY8709200

CAS REGISTRY NUMBER :: 51177-07-2

LAST UPDATED :: 199304

DATA ITEMS CITED :: 1

MOLECULAR FORMULA :: C22-H27-N3-O6

MOLECULAR WEIGHT :: 429.52

TR 2 toxin

(5aR,12S,14aS)-5a,6-dihydroxy-12-(2-hydroxy-2-methylpropyl)-9-methoxy-1,2,3,5a,6,14a-hexahydropyrrolo[1'',2'':4',5']pyrazino[1',2':1,6]pyrido[3,4-b]indole-5,14(11H,12H)-dione

(-)-verruculogen TR-2

TR 2

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