Akuammiline

Catalog Number	ACM1897263
CAS Number	1897-26-3
Synonyms	(16R)-17-Acetoxyakuammilan-16-carboxylic acid methyl ester
Molecular Weight	394.5
InChI	InChI=1S/C23H26N2O4/c1-4-15-12-25-10-9-22-16-7-5-6-8-18(16)24-20(22)19(25)11-17(15)23(22,21(27)28-3)13-29-14(2)26/h4-8,17,19H,9-13H2,1-3H3/b15-4-/t17-,19+,22-,23/m1/s1
InChI Key	QBHALCZZZWCCLV-CLNIADLISA-N
Melting Point	160 °C
Purity	90%+
Complexity	805
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	3
Exact Mass	394.18925731
Heavy Atom Count	29
Hydrogen Bond Acceptor Count	6
Hydrogen Bond Donor Count	0
Isomeric SMILES	C/C=C\1/CN2CC[C@@]34C5=CC=CC=C5N=C3[C@@H]2C[C@H]1C4(COC(=O)C)C(=O)OC
Monoisotopic Mass	394.18925731
PhysicalState	Powder
Rotatable Bond Count	5
Topological Polar Surface Area	68.2 Ų

Custom Q&A

What is the chemical name of the compound with the synonym Akuammiline?

The chemical name of the compound is (16R)-17-Acetoxyakuammilan-16-carboxylic acid methyl ester.

What is the CAS number of Akuammiline?

The CAS number of Akuammiline is 1897-26-3.

What is the molecular formula of Akuammiline?

The molecular formula of Akuammiline is C23H26N2O4.

What is the molecular weight of Akuammiline?

The molecular weight of Akuammiline is 394.47.

What is the melting point of Akuammiline?

The melting point of Akuammiline is 160 °C.

In what solvents is Akuammiline soluble in?

Akuammiline is soluble in Chloroform, Dichloromethane, Ethyl Acetate, DMSO, and Acetone.

What is the form of Akuammiline?

Akuammiline is in powder form.

What is the predicted boiling point of Akuammiline?

The predicted boiling point of Akuammiline is 511.2±50.0 °C.

What is the predicted pka value of Akuammiline?

The predicted pka value of Akuammiline is 5.35±0.40.

What is the chemical structure of Akuammiline like?

The chemical structure of Akuammiline is like 2H-2,7a-Methanoindolo[2,3-a]quinolizine-13-carboxylic acid, 13-[(acetyloxy)methyl]-3-ethylidene-1,3,4,6,7,12b-hexahydro-, methyl ester, (2S,3E,5S,7aS,12bS,13R)-.

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