Anthranoyllycoctonine

Catalog Number	ACM22413781
CAS Number	22413-78-1
Synonyms	4-[[(2-Aminobenzoyl)oxy]methyl]-20-ethyl-1α,6β,14α,16β-tetramethoxyaconitane-7,8-diol
Molecular Weight	586.7
InChI	InChI=1S/C32H46N2O8/c1-6-34-15-29(16-42-27(35)17-9-7-8-10-20(17)33)12-11-22(39-3)31-19-13-18-21(38-2)14-30(36,23(19)24(18)40-4)32(37,28(31)34)26(41-5)25(29)31/h7-10,18-19,21-26,28,36-37H,6,11-16,33H2,1-5H3/t18-,19-,21+,22+,23-,24+,25-,26+,28?,29+,30-,31+,32-/m1/s1
InChI Key	NNDHDYDFEDRMGH-CAEIVAEBSA-N
Melting Point	154-155 °C
Purity	90%+
Complexity	1080
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	12
Exact Mass	586.32541643
Heavy Atom Count	42
Hydrogen Bond Acceptor Count	10
Hydrogen Bond Donor Count	3
Isomeric SMILES	CCN1C[C@@]2(CC[C@@H]([C@@]34[C@@H]2[C@@H]([C@@](C31)([C@]5(C[C@@H]([C@H]6C[C@@H]4[C@@H]5[C@H]6OC)OC)O)O)OC)OC)COC(=O)C7=CC=CC=C7N
Monoisotopic Mass	586.32541643
PhysicalState	Powder
Rotatable Bond Count	9
Topological Polar Surface Area	133 Ų

Custom Q&A

What is the product name of the chemical compound with the formula C32H46N2O8?

The product name is ANTHRANOYLLYCOCTONINE.

What are some synonyms for ANTHRANOYLLYCOCTONINE?

Some synonyms include (+)-Anthraniloyllycoctonine and Inuline.

What is the CAS number of ANTHRANOYLLYCOCTONINE?

The CAS number is 22413-78-1.

What is the molecular weight of ANTHRANOYLLYCOCTONINE?

The molecular weight is 586.73 g/mol.

What is the melting point of ANTHRANOYLLYCOCTONINE and in what solvent?

The melting point is 154-155 °C in ethanol.

What is the boiling point of ANTHRANOYLLYCOCTONINE (rough estimate)?

The boiling point is estimated to be 642.86°C.

What is the density of ANTHRANOYLLYCOCTONINE (rough estimate)?

The density is approximately 1.1777.

What is the refractive index of ANTHRANOYLLYCOCTONINE (estimate)?

The refractive index is estimated to be 1.6260.

What is the pKa value of ANTHRANOYLLYCOCTONINE?

The pKa value is 12.18±0.70 (predicted).

What is the toxicity of ANTHRANOYLLYCOCTONINE in terms of LD50 subcutaneous in mice?

The LD50 subcutaneous in mice is 108mg/kg.

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