Neoline

Catalog Number	ACM466262
CAS Number	466-26-2
Synonyms	Bullatine B
IUPAC Name	11-Ethyl-6,18-dimethoxy-13-(methoxymethyl)-11-azahexacyclo[7.7.2.12,5.01,10.03,8.013,17]nonadecane-4,8,16-triol
Molecular Weight	437.57
Molecular Formula	C24H39NO6
Canonical SMILES	CCN1CC2(CCC(C34C2C(C(C31)C5(CC(C6CC4C5C6O)OC)O)OC)O)COC
InChI	InChI=1S/C24H39NO6/c1-5-25-10-22(11-29-2)7-6-15(26)24-13-8-12-14(30-3)9-23(28,16(13)18(12)27)17(21(24)25)19(31-4)20(22)24/h12-21,26-28H,5-11H2,1-4H3
InChI Key	XRARAKHBJHWUHW-UHFFFAOYSA-N
Boiling Point	578.3±50.0 °C
Melting Point	153-154 °C
Purity	98%
Density	1.31±0.1 g/ml
Appearance	Powder
Complexity	752
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Exact Mass	437.27773796
Heavy Atom Count	31
Hydrogen Bond Acceptor Count	7
Hydrogen Bond Donor Count	3
Monoisotopic Mass	437.27773796
PhysicalState	Powder
Rotatable Bond Count	5
Topological Polar Surface Area	91.6 Ų

Custom Q&A

What is the chemical formula of Neoline?

The chemical formula of Neoline is C24H3906N.

What is the melting point of Neoline?

The melting point of Neoline is 162°C.

What is the structure of Neoline?

The structure of Neoline is shown above, as the earlier structure was found to be incorrect.

When was the structure of Neoline revised?

The structure of Neoline was revised recently on the basis of spectroscopic evidence.

What are some references that discuss Neoline?

Pelletier, Djarmati, Lajsic, and Amer. Chem. Soc. are some references that discuss Neoline.

What is the publication date of the reference by Pelletier et ai. in 1976?

The publication by Pelletier et ai. was in 1976.

What is the role of Pelletier in the study of Neoline?

Pelletier played a role in revising the structure of Neoline.

What evidence was used to revise the structure of Neoline?

The structure of Neoline was revised based on spectroscopic evidence.

How is Neoline typically synthesized?

Neoline is typically synthesized through a specific chemical process.

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