Demethoxyfumitremorgin C

Catalog Number	ACM111768162
CAS Number	111768-16-2
Molecular Weight	349.4
InChI	InChI=1S/C21H23N3O2/c1-12(2)10-17-19-14(13-6-3-4-7-15(13)22-19)11-18-20(25)23-9-5-8-16(23)21(26)24(17)18/h3-4,6-7,10,16-18,22H,5,8-9,11H2,1-2H3/t16-,17-,18-/m0/s1
InChI Key	LQXCSIKDOISJTI-BZSNNMDCSA-N
Purity	95%+
Complexity	656
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	3
Exact Mass	349.17902698
Heavy Atom Count	26
Hydrogen Bond Acceptor Count	2
Hydrogen Bond Donor Count	1
Isomeric SMILES	CC(=C[C@H]1C2=C(C[C@@H]3N1C(=O)[C@@H]4CCCN4C3=O)C5=CC=CC=C5N2)C
Monoisotopic Mass	349.17902698
PhysicalState	Powder
Rotatable Bond Count	1
Topological Polar Surface Area	56.4 Ų

Custom Q&A

What is the chemical formula of demethoxyfumitremorgin C?

The chemical formula of demethoxyfumitremorgin C is C21H23N3O2.

What is the molecular weight of demethoxyfumitremorgin C?

The molecular weight of demethoxyfumitremorgin C is 349.43.

What is the CAS number of demethoxyfumitremorgin C?

The CAS number of demethoxyfumitremorgin C is 111768-16-2.

What are the chemical properties of demethoxyfumitremorgin C?

The boiling point of demethoxyfumitremorgin C is predicted to be 617.8±55.0 °C, and its density is predicted to be 1.33±0.1 g/cm3. It also has a predicted pKa value of 16.93±0.40.

What is the structure of demethoxyfumitremorgin C?

Demethoxyfumitremorgin C is an organic heteropentacyclic compound with a structure of 5H,14H-Pyrrolo[1'',2'':4',5']pyrazino[1',2':1,6]pyrido[3,4-b]indole-5,14-dione.

What is the role of demethoxyfumitremorgin C?

Demethoxyfumitremorgin C is a mycotoxin and has a role as a mycotoxin.

What is demethoxyfumitremorgin C derived from?

Demethoxyfumitremorgin C is derived from fumitremorgin C with the absence of the 9-methoxy substituent.

What type of compound is demethoxyfumitremorgin C?

Demethoxyfumitremorgin C is an indole alkaloid and an organic heteropentacyclic compound.

What is the predicted boiling point of demethoxyfumitremorgin C?

The predicted boiling point of demethoxyfumitremorgin C is 617.8±55.0 °C.

What is the predicted pKa value of demethoxyfumitremorgin C?

The predicted pKa value of demethoxyfumitremorgin C is 16.93±0.40.

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