Ajmalimine

Catalog Number	ACM59846310
CAS Number	59846-31-0
Synonyms	Ajmaline 17-O-(3',4',5'-trimethoxybenzoate)
Molecular Weight	520.6
InChI	InChI=1S/C30H36N2O6/c1-6-16-17-13-20-26-30(18-9-7-8-10-19(18)31(26)2)14-21(32(20)28(16)33)24(17)27(30)38-29(34)15-11-22(35-3)25(37-5)23(12-15)36-4/h7-12,16-17,20-21,24,26-28,33H,6,13-14H2,1-5H3/t16-,17,20-,21-,24,26-,27,28+,30/m0/s1
InChI Key	JCRQPLRRHXVYJF-DBROWAFRSA-N
Purity	95%+
Complexity	920
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	5
Exact Mass	520.25733687
Heavy Atom Count	38
Hydrogen Bond Acceptor Count	8
Hydrogen Bond Donor Count	1
Isomeric SMILES	CC[C@@H]1[C@H](N2[C@H]3CC1C4[C@@H]2CC5([C@H]3N(C6=CC=CC=C65)C)C4OC(=O)C7=CC(=C(C(=C7)OC)OC)OC)O
Monoisotopic Mass	520.25733687
PhysicalState	Powder
Rotatable Bond Count	7
Topological Polar Surface Area	80.7 Ų

Custom Q&A

What is the chemical formula of Ajmalimine?

The chemical formula of Ajmalimine is C30H36N2O6.

What is the molecular weight of Ajmalimine?

The molecular weight of Ajmalimine is 520.63.

What is Ajmalimine soluble in?

Ajmalimine is soluble in Chloroform, Dichloromethane, Ethyl Acetate, DMSO, Acetone, etc.

What is the predicted density of Ajmalimine?

The predicted density of Ajmalimine is 1.35±0.1 g/cm3.

What is the predicted pKa value of Ajmalimine?

The predicted pKa value of Ajmalimine is 13.57±0.60.

Where does Ajmalimine come from?

Ajmalimine is a natural product from Rauvolfia serpentina.

What are some synonyms for Ajmalimine?

Some synonyms for Ajmalimine are Ajmaline 17-O-(3',4',5'-trimethoxybenzoate), Willicourtine, Ajmalan-17,21-diol, 17-(3,4,5-trimethoxybenzoate), (17R,21α), etc.

In what form is Ajmalimine commonly found?

Ajmalimine is commonly found in powder form.

What is the CAS number of Ajmalimine?

The CAS number of Ajmalimine is 59846-31-0.

What is the chemical structure of Ajmalimine?

The chemical structure of Ajmalimine is (16xi,17R,21alpha)-21-hydroxyajmalan-17-yl 3,4,5-trimethoxybenzoate.

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