16-O-Methyl-14,15-didehydroisovincanol

Catalog Number	ACM112237715-1
CAS Number	112237-71-5
Structure
Synonyms	Eburnamenine, 17,18-didehydro-14,15-dihydro-14-methoxy-, (3α,14β,16α)- (9CI)
Molecular Weight	308.4
InChI	InChI=1S/C20H24N2O/c1-3-20-10-6-11-21-12-9-15-14-7-4-5-8-16(14)22(17(13-20)23-2)18(15)19(20)21/h4-8,10,17,19H,3,9,11-13H2,1-2H3/t17-,19-,20+/m1/s1
InChI Key	GVXROOJTLRFORO-RLLQIKCJSA-N
Purity	95%+
Complexity	506
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	3
Exact Mass	308.188863393
Heavy Atom Count	23
Hydrogen Bond Acceptor Count	2
Hydrogen Bond Donor Count	0
Isomeric SMILES	CC[C@]12C[C@H](N3C4=CC=CC=C4C5=C3[C@H]1N(CC5)CC=C2)OC
Monoisotopic Mass	308.188863393
PhysicalState	Powder
Rotatable Bond Count	2
Topological Polar Surface Area	17.4 Ų

Custom Q&A

What is the molecular formula of 16-O-Methyl-14,15-didehydroisovincal?

The molecular formula is C20H24N2O.

What is the molecular weight of 16-O-Methyl-14,15-didehydroisovincal?

The molecular weight is 308.43.

What is the CAS number of 16-O-Methyl-14,15-didehydroisovincal?

The CAS number is 112237-71-5.

What is the Melting point of 16-O-Methyl-14,15-didehydroisovincal?

The melting point is 200°C (in acetone).

What is the boiling point of 16-O-Methyl-14,15-didehydroisovincal?

The boiling point is predicted to be 459.4±45.0°C.

What is the density of 16-O-Methyl-14,15-didehydroisovincal?

The predicted density is 1.26±0.1 g/cm3.

What is the pka value of 16-O-Methyl-14,15-didehydroisovincal?

The pka value is predicted to be 7.33±0.60.

What are the synonyms of 16-O-Methyl-14,15-didehydroisovincal?

The synonyms include O-methyl-Δ14-vincanol, Eburnamenine, and O-Methyl-Δ14-vincanol.

How is 16-O-Methyl-14,15-didehydroisovincal predicted to behave in terms of its physical and chemical properties?

Based on predictions, it has a specific melting point, boiling point, density, and pka value.

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