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Alkaloids

Hypaconine

Also known as 1alpha,6alpha,16beta-trimethoxy-4-(methoxymethyl)-20-methylaconitane-8,13,14alpha,15alpha-tetrol, (1alpha,6alpha,14alpha,15alpha,16beta)-1,6,16-trimethoxy-4-(methoxymethyl)-20-methylaconitane-8,13,14,15-tetrol, 6,16,18-trimethoxy-13-(methoxymethyl)-11-methyl-11-azahexacyclo(7.7.2.12,5.01,10.03,8.013,17)nonadecane-4,5,7,8-tetrol

CAS 63238-68-6Formula C24H39NO8Molar mass 469.58 g/mol
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Hypaconine chemical structure, C24H39NO8, CAS 63238-68-6
2D chemical structure

Key facts

What buyers check first

All properties
CAS number
63238-68-6
Formula
C24H39NO8
Molar mass
469.58 g/mol
HS code
293979
Category
Alkaloids

What is Hypaconine?

Plain description, key identifiers and synonyms

Hypaconine is a diterpene alkaloid with formula C24H39NO8, originally isolated from Aconitum carmichaeli. It has a role as a xenobiotic, a plant metabolite and a human urinary metabolite. It is a diterpene alkaloid, a tertiary alcohol, a tetrol, a secondary alcohol, a bridged compound, an organic heteropolycyclic compound, a polyether and a tertiary amino compound. It derives from a hydride of an aconitane.

Identifiers

Registry numbers, names and line notations, tap to copy

IUPAC name
(1S,2R,3R,4R,5R,6S,7S,8R,9R,13S,16S,17R,18R)-6,16,18-trimethoxy-13-(methoxymethyl)-11-methyl-11-azahexacyclo[7.7.2.12,5.01,10.03,8.013,17]nonadecane-4,5,7,8-tetrol
CAS number
63238-68-6
Molecular formula
C24H39NO8
InChIKey
BQTYHFZQSAKNQU-WIGGLDDKSA-N
InChI
InChI=1S/C24H39NO8/c1-25-9-21(10-30-2)7-6-12(31-3)23-11-8-22(28)18(26)13(11)24(29,19(27)20(22)33-5)14(17(23)25)15(32-4)16(21)23/h11-20,26-29H,6-10H2,1-5H3/t11-,12+,13-,14+,15+,16-,17?,18-,19+,20+,21+,22-,23+,24-/m1/s1
Canonical SMILES
COCC12CCC(OC)C34C5CC6(O)C(O)C5C(O)(C(O)C6OC)C(C(OC)C13)C4N(C)C2
Isomeric SMILES
CN1C[C@@]2(CC[C@@H]([C@@]34[C@@H]2[C@H]([C@@H](C31)[C@@]5([C@@H]6[C@H]4C[C@@]([C@@H]6O)([C@H]([C@@H]5O)OC)O)O)OC)OC)COC

Synonyms

  • 1alpha,6alpha,16beta-trimethoxy-4-(methoxymethyl)-20-methylaconitane-8,13,14alpha,15alpha-tetrol
  • (1alpha,6alpha,14alpha,15alpha,16beta)-1,6,16-trimethoxy-4-(methoxymethyl)-20-methylaconitane-8,13,14,15-tetrol
  • 6,16,18-trimethoxy-13-(methoxymethyl)-11-methyl-11-azahexacyclo(7.7.2.12,5.01,10.03,8.013,17)nonadecane-4,5,7,8-tetrol
  • 6,16,18-trimethoxy-13-(methoxymethyl)-11-methyl-11-azahexacyclo[7.7.2.12,5.01,10.03,8.013,17]nonadecane-4,5,7,8-tetrol
  • deoxymesaconine

Physical and chemical properties

Measured values and descriptors computed from the structure

Physical and chemical properties

Measured values, check the supplier specification for your grade

No measured properties are recorded for this substance yet. Ask suppliers for a technical data sheet.

Values vary by grade. Ask suppliers for the COA or TDS of the batch you buy.

Computed descriptors

Calculated from the structure, useful for screening and formulation

Molecular weight
469.58 g/molcalc.
Exact mass
469.2676 Dacalc.
LogP (octanol/water)
-1.15calc.
Topological polar surface area
121.1 Ųcalc.
Hydrogen bond donors
4calc.
Hydrogen bond acceptors
9calc.
Rotatable bonds
5calc.
Heavy atoms
33calc.
Rings
6calc.
Aromatic rings
0calc.
Fraction sp3 carbons
1calc.
Formal charge
0calc.
Stereocentres
14calc.
Lipinski rule of five
Passes (0 violations)calc.

Calculated for screening. Confirm critical figures with the supplier.

Murcko scaffold

The ring system that remains when every side chain is removed

Murcko scaffold of this chemical, C1CC2CNC3C4CC2C3(C1)C1CC2CCC4C1C2

C1CC2CNC3C4CC2C3(C1)C1CC2CCC4C1C2

6 rings, 19 atoms.

124 other chemicals share this scaffold

Safety and hazards

GHS classification summary, not a safety data sheet

No GHS hazard classification is recorded for this substance yet. That does not mean it is harmless.

GHS classification summary, not a safety data sheet (SDS). Classifications can differ by supplier, grade and concentration. Always check the supplier's SDS.

Hypaconine suppliers

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Hypaconine price

Indicative price range per kg from live supplier offers

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Uses and applications

What the substance is used for, by industry and function

Roles

  • animal metabolite
  • eukaryotic metabolite
  • human metabolite
  • human urinary metabolite
  • mammalian metabolite
  • metabolite
  • plant metabolite
  • xenobiotic

Regulatory status

Inventories, regulations and trade controls that list this substance

No regulatory list memberships are recorded for this substance yet. Always check the rules of the importing and exporting country before trade.

HS code and trade data

Customs classification and reported world trade statistics

Global trade

World import and export statistics for the HS code Hypaconine is traded under.

HS 2939.79Indicative HS code

Alkaloids of vegetal origin, other than cocaine, ecgonine, salts, esters and other derivatives, not elsewhere…

World exports in 2024
$701M
+18.9% vs 2023, imports $830M
2019 to 2024
Top exporters
  1. Switzerland * partner reported25.3%
  2. Germany21.4%
  3. India * partner reported14.9%
Top importers
  1. United States20.9%
  2. Germany14.7%
  3. Italy14.6%

* Partner reported figures, a lower bound.

Reported customs values in USD, not prices.Full trade data

The HS code shown for Hypaconine is indicative (it is known at chapter level only). Confirm the classification with your customs broker before shipping.

Frequently asked questions

Quick answers about Hypaconine, based on the data on this page

What is Hypaconine?

Hypaconine is a diterpene alkaloid with formula C24H39NO8, originally isolated from Aconitum carmichaeli. It has a role as a xenobiotic, a plant metabolite and a human urinary metabolite.

What is the CAS number of Hypaconine?

The CAS registry number of Hypaconine is 63238-68-6.

What is the molecular formula and weight of Hypaconine?

The molecular formula of Hypaconine is C24H39NO8 and its molar mass is 469.58 g/mol.

What is Hypaconine used for?

Known uses and roles of Hypaconine include animal metabolite, eukaryotic metabolite, human metabolite, human urinary metabolite, mammalian metabolite and 3 more.

Is Hypaconine hazardous?

No GHS hazard classification for Hypaconine is recorded on CompoundList yet. That does not prove it is safe. Always read the supplier safety data sheet.

What is the HS code of Hypaconine?

Hypaconine is usually classified under HS code 293979 (Alkaloids, natural or reproduced by synthesis, and their salts, ethers, esters and other…). This is indicative, confirm it with your customs broker before shipping.

Where can I buy Hypaconine?

Post a free request on CompoundList and suppliers of Hypaconine will send you quotes. Your contact details stay private until you accept a quote.

What is the price of Hypaconine?

Suppliers quote Hypaconine on request because prices depend on grade, purity, quantity and destination. A free request on CompoundList gets you several quotes to compare.

Guides for buyers

Practical guides that help when you source, ship or handle Hypaconine

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Data last updated 7 Oct 2026. Details may have changed, please confirm them with the supplier. Report an error on this page
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