Foresaconitine

Catalog Number	ACM73870356
CAS Number	73870-35-6
Synonyms	Vilmorrianine C
Molecular Weight	627.8
InChI	InChI=1S/C35H49NO9/c1-8-36-17-33(18-39-3)14-13-25(42-6)35-23-15-22-24(41-5)16-34(45-19(2)37,27(31(35)36)29(43-7)30(33)35)26(23)28(22)44-32(38)20-9-11-21(40-4)12-10-20/h9-12,22-31H,8,13-18H2,1-7H3/t22-,23-,24+,25+,26-,27+,28+,29+,30-,31,33+,34-,35+/m1/s1
InChI Key	LYUPEIXJYAJCHL-RMQZIYKOSA-N
Purity	95%+
Complexity	1140
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	12
Exact Mass	627.34073214
Heavy Atom Count	45
Hydrogen Bond Acceptor Count	10
Hydrogen Bond Donor Count	0
Isomeric SMILES	CCN1C[C@@]2(CC[C@@H]([C@@]34[C@@H]2[C@H]([C@@H](C31)[C@]5(C[C@@H]([C@H]6C[C@@H]4[C@@H]5[C@H]6OC(=O)C7=CC=C(C=C7)OC)OC)OC(=O)C)OC)OC)COC
Monoisotopic Mass	627.34073214
PhysicalState	Powder
Rotatable Bond Count	12
Topological Polar Surface Area	102 Ų

Custom Q&A

What is the chemical formula for VILMORRIANINE C?

The chemical formula for VILMORRIANINE C is C35H49NO9.

What is the molecular weight of VILMORRIANINE C?

The molecular weight of VILMORRIANINE C is 627.76.

How does foresaconitine occur in nature?

Foresaconitine occurs in the ethanolic extract of Aconitum forestii.

How does foresaconitine crystallize?

Foresaconitine crystallizes as colorless needles from EtOH.

What is the specific rotation of foresaconitine?

The specific rotation of foresaconitine is [α]D + 30.5° (CHCl3).

What is the boiling point of foresaconitine?

The predicted boiling point of foresaconitine is 663.4±55.0 °C.

What is the density of foresaconitine?

The density of foresaconitine is 1.26.

What role does foresaconitine play as per ChEBI?

Foresaconitine is a diterpene alkaloid with a role as a plant metabolite, a human urinary metabolite, and a xenobiotic.

What is the pKa value of foresaconitine?

The predicted pKa value of foresaconitine is 6.30±0.70.

What are some of the potential uses of foresaconitine?

Foresaconitine is a diterpenoid alkaloid and a derivative of aconitine. It has been used in the treatment of rheumatism.

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