Benzoylmesaconine

Catalog Number	ACM63238675
CAS Number	63238-67-5
Synonyms	8-Deacetylmesaconitine
Molecular Weight	589.7
InChI	InChI=1S/C31H43NO10/c1-32-13-28(14-38-2)17(33)11-18(39-3)30-16-12-29(36)25(42-27(35)15-9-7-6-8-10-15)19(16)31(37,24(34)26(29)41-5)20(23(30)32)21(40-4)22(28)30/h6-10,16-26,33-34,36-37H,11-14H2,1-5H3/t16-,17-,18+,19-,20+,21+,22-,23?,24+,25-,26+,28+,29-,30+,31-/m1/s1
InChI Key	PULWZCUZNRVAHT-IJNXHYLPSA-N
Purity	95%+
Complexity	1090
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	14
Exact Mass	589.28869657
Heavy Atom Count	42
Hydrogen Bond Acceptor Count	11
Hydrogen Bond Donor Count	4
Isomeric SMILES	CN1C[C@@]2([C@@H](C[C@@H]([C@@]34[C@@H]2[C@H]([C@@H](C31)[C@@]5([C@@H]6[C@H]4C[C@@]([C@@H]6OC(=O)C7=CC=CC=C7)([C@H]([C@@H]5O)OC)O)O)OC)OC)O)COC
Monoisotopic Mass	589.28869657
PhysicalState	Powder
Rotatable Bond Count	8
Topological Polar Surface Area	147 Ų

Custom Q&A

What is the chemical formula of benzoylmesaconine?

The chemical formula of benzoylmesaconine is C31H43NO10.

What is the molecular weight of benzoylmesaconine?

The molecular weight of benzoylmesaconine is 589.67.

What is the melting point of benzoylmesaconine?

The melting point of benzoylmesaconine is >196°C (dec.).

In what form does benzoylmesaconine exist?

Benzoylmesaconine exists in a solid form.

What is the storage temperature recommended for benzoylmesaconine?

The recommended storage temperature for benzoylmesaconine is -20°C in a freezer.

What are the uses of benzoylmesaconine?

Benzoylmesaconine is used to treat pain associated with various disorders.

What is the solubility of benzoylmesaconine in chloroform, methanol, and water?

Benzoylmesaconine is slightly soluble in chloroform and methanol, and slightly soluble in water when heated and sonicated.

What is the predicted boiling point of benzoylmesaconine?

The predicted boiling point of benzoylmesaconine is 703.2±60.0 °C.

From which plants is benzoylmesaconine isolated?

Benzoylmesaconine is isolated from several Aconitum species.

What role does benzoylmesaconine have as per ChEBI?

According to ChEBI, benzoylmesaconine has a role as a plant metabolite, an analgesic, and an antiinfective agent.

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