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Screening compounds

Vilmorrianone

Also known as ((1R,3S,5R,8R,9S,11S,14R,17R,18S)-5,7-dimethyl-12-methylidene-10,15,16-trioxo-7-azahexacyclo(9.6.2.01,8.05,17.09,14.014,18)nonadecan-3-yl) acetate, [(1R,3S,5R,8R,9S,11S,14R,17R,18S)-5,7-dimethyl-12-methylidene-10,15,16-trioxo-7-azahexacyclo[9.6.2.01,8.05,17.09,14.014,18]nonadecan-3-yl] acetate

CAS 135626-83-4Formula C23H27NO5Molar mass 397.47 g/mol
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Vilmorrianone chemical structure, C23H27NO5, CAS 135626-83-4
2D chemical structure

Key facts

What buyers check first

All properties
CAS number
135626-83-4
Formula
C23H27NO5
Molar mass
397.47 g/mol
HS code
293399
Category
Screening compounds

What is Vilmorrianone?

Plain description, key identifiers and synonyms

Vilmorrianone is a natural product found in Aconitum vilmorinianum and Delphinium denudatum. It has a role as a metabolite.

Identifiers

Registry numbers, names and line notations, tap to copy

IUPAC name
[(1R,3S,5R,8R,9S,11S,14R,17R,18S)-5,7-dimethyl-12-methylidene-10,15,16-trioxo-7-azahexacyclo[9.6.2.01,8.05,17.09,14.014,18]nonadecan-3-yl] acetate
CAS number
135626-83-4
Molecular formula
C23H27NO5
InChIKey
MCKIOPXSFPCTTR-NGELOBKFSA-N
InChI
InChI=1S/C23H27NO5/c1-10-6-22-14-5-13(10)16(26)15(22)19-23(14)8-12(29-11(2)25)7-21(3,9-24(19)4)18(23)17(27)20(22)28/h12-15,18-19H,1,5-9H2,2-4H3/t12-,13-,14+,15+,18+,19+,21-,22+,23+/m0/s1
Canonical SMILES
C=C1CC23C(=O)C(=O)C4C5(C)CC(OC(C)=O)CC46C(C2C(=O)C1CC36)N(C)C5
Isomeric SMILES
CC(=O)O[C@H]1C[C@]2(CN([C@@H]3[C@H]4C(=O)[C@H]5C[C@H]6[C@]3(C1)[C@@H]2C(=O)C(=O)[C@]64CC5=C)C)C

Synonyms

  • ((1R,3S,5R,8R,9S,11S,14R,17R,18S)-5,7-dimethyl-12-methylidene-10,15,16-trioxo-7-azahexacyclo(9.6.2.01,8.05,17.09,14.014,18)nonadecan-3-yl) acetate
  • [(1R,3S,5R,8R,9S,11S,14R,17R,18S)-5,7-dimethyl-12-methylidene-10,15,16-trioxo-7-azahexacyclo[9.6.2.01,8.05,17.09,14.014,18]nonadecan-3-yl] acetate

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
397.47 g/molcalc.
Exact mass
397.1889 Dacalc.
LogP (octanol/water)
1.57calc.
Topological polar surface area
80.75 Ųcalc.
Hydrogen bond donors
0calc.
Hydrogen bond acceptors
6calc.
Rotatable bonds
1calc.
Heavy atoms
29calc.
Rings
7calc.
Aromatic rings
0calc.
Fraction sp3 carbons
0.74calc.
Formal charge
0calc.
Stereocentres
9calc.
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, C=C1CC23C(=O)C(=O)C4C5CCCC46C(NC5)C2C(=O)C1CC36

C=C1CC23C(=O)C(=O)C4C5CCCC46C(NC5)C2C(=O)C1CC36

7 rings, 23 atoms.

No other chemical in our database has 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.

Vilmorrianone suppliers

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Vilmorrianone 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

  • metabolite

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 Vilmorrianone is traded under.

HS 2933.99Indicative HS code

Heterocyclic compounds with nitrogen hetero-atom(s) only, other

World exports in 2024
$12.1B
−31.0% vs 2023, imports $28.8B
2019 to 2024
Top exporters
  1. China30.5%
  2. India * partner reported16.3%
  3. Ireland9.0%
Top importers
  1. Slovenia31.7%
  2. Italy24.2%
  3. United States5.0%

* Partner reported figures, a lower bound.

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

The HS code shown for Vilmorrianone is indicative (it was assigned by structure rules). Confirm the classification with your customs broker before shipping.

Frequently asked questions

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

What is Vilmorrianone?

Vilmorrianone is a natural product found in Aconitum vilmorinianum and Delphinium denudatum. It has a role as a metabolite.

What is the CAS number of Vilmorrianone?

The CAS registry number of Vilmorrianone is 135626-83-4.

What is the molecular formula and weight of Vilmorrianone?

The molecular formula of Vilmorrianone is C23H27NO5 and its molar mass is 397.47 g/mol.

What is Vilmorrianone used for?

Known uses and roles of Vilmorrianone include building blocks in research and laboratory, screening compounds in research and laboratory and metabolite.

Is Vilmorrianone hazardous?

No GHS hazard classification for Vilmorrianone 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 Vilmorrianone?

Vilmorrianone is usually classified under HS code 293399 (Heterocyclic compounds with nitrogen hetero-atom(s) only, other). This is indicative, confirm it with your customs broker before shipping.

Where can I buy Vilmorrianone?

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

What is the price of Vilmorrianone?

Suppliers quote Vilmorrianone 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 Vilmorrianone

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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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