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Screening compounds

Elegantine

Also known as methyl (7alpha,19alpha,20alpha)-11,12-dimethoxy-19-methyl-2-oxoformosanan-16-carboxylate, methyl (10S,15S,16S,18S,22S)-6,7-dimethoxy-22-methyl-2-oxo-21-oxa-12-azaspiro(indoline-3,6'-tricyclo(7.4.0.0(3,7))tridecane)-19-ene-19-carboxylate

CAS 20497-41-0Formula C23H28N2O6Molar mass 428.49 g/mol
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Elegantine chemical structure, C23H28N2O6, CAS 20497-41-0
2D chemical structure

Key facts

What buyers check first

All properties
CAS number
20497-41-0
Formula
C23H28N2O6
Molar mass
428.49 g/mol
HS code
293499
Category
Screening compounds

What is Elegantine?

Plain description, key identifiers and synonyms

Elegantine is a chemical substance with the molecular formula C23H28N2O6 and a molar mass of 428.49 g/mol. Its CAS registry number is 20497-41-0. The IUPAC name is methyl (1S,4aS,5aS,6S,10aS)-6',7'-dimethoxy-1-methyl-2'-oxospiro[1,4a,5,5a,7,8,10,10a-octahydropyrano[3,4-f]indolizine-6,3'-1H-indole]-4-carboxylate.

Identifiers

Registry numbers, names and line notations, tap to copy

IUPAC name
methyl (1S,4aS,5aS,6S,10aS)-6',7'-dimethoxy-1-methyl-2'-oxospiro[1,4a,5,5a,7,8,10,10a-octahydropyrano[3,4-f]indolizine-6,3'-1H-indole]-4-carboxylate
CAS number
20497-41-0
Molecular formula
C23H28N2O6
InChIKey
TTZWEOINXHJHCY-AYEVVIACSA-N
InChI
InChI=1S/C23H28N2O6/c1-12-14-10-25-8-7-23(18(25)9-13(14)15(11-31-12)21(26)30-4)16-5-6-17(28-2)20(29-3)19(16)24-22(23)27/h5-6,11-14,18H,7-10H2,1-4H3,(H,24,27)/t12-,13-,14-,18-,23-/m0/s1
Canonical SMILES
COC(=O)C1=COC(C)C2CN3CCC4(C(=O)Nc5c4ccc(OC)c5OC)C3CC12
Isomeric SMILES
C[C@H]1[C@@H]2CN3CC[C@@]4([C@@H]3C[C@@H]2C(=CO1)C(=O)OC)C5=C(C(=C(C=C5)OC)OC)NC4=O

Synonyms

  • methyl (7alpha,19alpha,20alpha)-11,12-dimethoxy-19-methyl-2-oxoformosanan-16-carboxylate
  • methyl (10S,15S,16S,18S,22S)-6,7-dimethoxy-22-methyl-2-oxo-21-oxa-12-azaspiro(indoline-3,6'-tricyclo(7.4.0.0(3,7))tridecane)-19-ene-19-carboxylate

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
428.49 g/molcalc.
Exact mass
428.1947 Dacalc.
LogP (octanol/water)
2.08calc.
Topological polar surface area
86.33 Ųcalc.
Hydrogen bond donors
1calc.
Hydrogen bond acceptors
7calc.
Rotatable bonds
3calc.
Heavy atoms
31calc.
Rings
5calc.
Aromatic rings
1calc.
Fraction sp3 carbons
0.57calc.
Formal charge
0calc.
Stereocentres
5calc.
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, O=C1Nc2ccccc2C12CCN1CC3COC=CC3CC12

O=C1Nc2ccccc2C12CCN1CC3COC=CC3CC12

5 rings, 22 atoms.

18 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.

Elegantine suppliers

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Elegantine price

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Uses and applications

What the substance is used for, by industry and function

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 Elegantine is traded under.

HS 2934.99Indicative HS code

Nucleic acids and their salts, other heterocyclic compounds, not elsewhere classified in heading 2934

World exports in 2024
$26.7B
+15.0% vs 2023, imports $26.3B
2019 to 2024
Top exporters
  1. Ireland26.3%
  2. China15.7%
  3. Singapore10.3%
Top importers
  1. United States24.5%
  2. Germany23.1%
  3. Japan4.5%
Reported customs values in USD, not prices.Full trade data

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

Frequently asked questions

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

What is Elegantine?

Elegantine is a chemical substance with the molecular formula C23H28N2O6 and a molar mass of 428.49 g/mol. Its CAS registry number is 20497-41-0. The IUPAC name is methyl (1S,4aS,5aS,6S,10aS)-6',7'-dimethoxy-1-methyl-2'-oxospiro[1,4a,5,5a,7,8,10,10a-octahydropyrano[3,4-f]indolizine-6,3'-1H-indole]-4-carboxylate.

What is the CAS number of Elegantine?

The CAS registry number of Elegantine is 20497-41-0.

What is the molecular formula and weight of Elegantine?

The molecular formula of Elegantine is C23H28N2O6 and its molar mass is 428.49 g/mol.

What is Elegantine used for?

Known uses and roles of Elegantine include building blocks in research and laboratory and screening compounds in research and laboratory.

Is Elegantine hazardous?

No GHS hazard classification for Elegantine 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 Elegantine?

Elegantine is usually classified under HS code 293499 (Nucleic acids and their salts, whether or not chemically defined, other heterocyclic…). This is indicative, confirm it with your customs broker before shipping.

Where can I buy Elegantine?

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What is the price of Elegantine?

Suppliers quote Elegantine 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 Elegantine

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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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