N-Methoxyanhydrovobasinediol

Catalog Number	ACM125180429
CAS Number	125180-42-9
Synonyms	Vobasan, 3,17-epoxy-1-methoxy-, (3β)- (9CI)
Molecular Weight	338.4
InChI	InChI=1S/C21H26N2O2/c1-4-13-11-22(2)19-9-16-14-7-5-6-8-18(14)23(24-3)21(16)20-10-15(13)17(19)12-25-20/h4-8,15,17,19-20H,9-12H2,1-3H3/b13-4+/t15-,17,19+,20+/m1/s1
InChI Key	WZEYGSAJRPIRJA-WNVLZHRLSA-N
Purity	95%+
Complexity	550
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	3
Exact Mass	338.199428076
Heavy Atom Count	25
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	0
Isomeric SMILES	C/C=C/1\CN([C@H]2CC3=C([C@@H]4C[C@H]1C2CO4)N(C5=CC=CC=C35)OC)C
Monoisotopic Mass	338.199428076
PhysicalState	Powder
Rotatable Bond Count	1
Topological Polar Surface Area	26.6 Ų

Custom Q&A

What is the chemical name of the compound N-Methoxyanhydrovobasinediol?

The chemical name of the compound is N-Methoxyanhydrovobasinediol.

What are some synonyms for N-Methoxyanhydrovobasinediol?

Some synonyms for N-Methoxyanhydrovobasinediol are Na-Methoxyanhydrovobasinediol, Na-Methoxytaberpsychine, and Vobasan, 3,17-epoxy-1-methoxy-, (3β)- (9CI).

What is the CAS number for N-Methoxyanhydrovobasinediol?

The CAS number for N-Methoxyanhydrovobasinediol is 125180-42-9.

What is the molecular formula of N-Methoxyanhydrovobasinediol?

The molecular formula of N-Methoxyanhydrovobasinediol is C21H26N2O2.

What is the molecular weight of N-Methoxyanhydrovobasinediol?

The molecular weight of N-Methoxyanhydrovobasinediol is 338.45.

What is the predicted boiling point of N-Methoxyanhydrovobasinediol?

The predicted boiling point of N-Methoxyanhydrovobasinediol is 492.6±55.0 °C.

What is the predicted density of N-Methoxyanhydrovobasinediol?

The predicted density of N-Methoxyanhydrovobasinediol is 1.30±0.1 g/cm3.

In what forms is N-Methoxyanhydrovobasinediol soluble?

N-Methoxyanhydrovobasinediol is soluble in Chloroform, Dichloromethane, Ethyl Acetate, DMSO, Acetone, etc.

What form does N-Methoxyanhydrovobasinediol come in?

N-Methoxyanhydrovobasinediol comes in powder form.

What is the predicted pKa value of N-Methoxyanhydrovobasinediol?

The predicted pKa value of N-Methoxyanhydrovobasinediol is 8.47±0.20.

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