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Screening compounds

Decursidate

Also known as ((2S)-2-hydroxy-2-(4-hydroxyphenyl)ethyl) (E)-3-(4-hydroxy-3-methoxyphenyl)prop-2-enoate, [(2S)-2-hydroxy-2-(4-hydroxyphenyl)ethyl] (E)-3-(4-hydroxy-3-methoxyphenyl)prop-2-enoate, 2-(4'-hydroxyphenyl)glycol mono trans-ferulate

CAS 272122-56-2Formula C18H18O6Molar mass 330.34 g/mol
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Decursidate chemical structure, C18H18O6, CAS 272122-56-2
2D chemical structure

Key facts

What buyers check first

All properties
CAS number
272122-56-2
Formula
C18H18O6
Molar mass
330.34 g/mol
HS code
291899
Category
Screening compounds

What is Decursidate?

Plain description, key identifiers and synonyms

Decursidate has been reported in Halosciastrum melanotilingia.

Identifiers

Registry numbers, names and line notations, tap to copy

IUPAC name
[(2S)-2-hydroxy-2-(4-hydroxyphenyl)ethyl] (E)-3-(4-hydroxy-3-methoxyphenyl)prop-2-enoate
CAS number
272122-56-2
Molecular formula
C18H18O6
UNII
CMG6AY9NBZ
InChIKey
CLQSQZGNPFWGAE-UOWSJYKBSA-N
InChI
InChI=1S/C18H18O6/c1-23-17-10-12(2-8-15(17)20)3-9-18(22)24-11-16(21)13-4-6-14(19)7-5-13/h2-10,16,19-21H,11H2,1H3/b9-3+/t16-/m1/s1
Canonical SMILES
COc1cc(C=CC(=O)OCC(O)c2ccc(O)cc2)ccc1O
Isomeric SMILES
COC1=C(C=CC(=C1)/C=C/C(=O)OC[C@H](C2=CC=C(C=C2)O)O)O

Synonyms

  • ((2S)-2-hydroxy-2-(4-hydroxyphenyl)ethyl) (E)-3-(4-hydroxy-3-methoxyphenyl)prop-2-enoate
  • [(2S)-2-hydroxy-2-(4-hydroxyphenyl)ethyl] (E)-3-(4-hydroxy-3-methoxyphenyl)prop-2-enoate
  • 2-(4'-hydroxyphenyl)glycol mono trans-ferulate
  • ((2S)-2-(4-Hydroxyphenyl)-2-oxidanyl-ethyl) 3-(3-methoxy-4-oxidanyl-phenyl)prop-2-enoate
  • (2S)-2-Hydroxy-2-(4-hydroxyphenyl)ethyl (2E)-3-(4-hydroxy-3-methoxyphenyl)-2-propenoate
  • (2S)-2-Hydroxy-2-(4-hydroxyphenyl)ethyl 3-(4-hydroxy-3-methoxyphenyl)-2-propenoate
  • 2-Propenoic acid, 3-(4-hydroxy-3-methoxyphenyl)-, (2S)-2-hydroxy-2-(4-hydroxyphenyl)ethyl ester
  • 2-Propenoic acid, 3-(4-hydroxy-3-methoxyphenyl)-, (2S)-2-hydroxy-2-(4-hydroxyphenyl)ethyl ester, (2E)-

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
330.34 g/molcalc.
Exact mass
330.1103 Dacalc.
LogP (octanol/water)
2.4calc.
Topological polar surface area
96.22 Ųcalc.
Hydrogen bond donors
3calc.
Hydrogen bond acceptors
6calc.
Rotatable bonds
6calc.
Heavy atoms
24calc.
Rings
2calc.
Aromatic rings
2calc.
Fraction sp3 carbons
0.17calc.
Formal charge
0calc.
Stereocentres
1calc.
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=C(C=Cc1ccccc1)OCCc1ccccc1

O=C(C=Cc1ccccc1)OCCc1ccccc1

2 rings, 19 atoms.

52 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.

Decursidate suppliers

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Decursidate 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

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 Decursidate is traded under.

HS 2918.99Indicative HS code

Carboxylic acids, with additional oxygen function (not alcohol, phenol, aldehyde or ketone)…

World exports in 2024
$1.46B
−1.1% vs 2023, imports $1.54B
2019 to 2024
Top exporters
  1. China40.0%
  2. India * partner reported26.6%
  3. Germany8.0%
Top importers
  1. United States25.6%
  2. Brazil6.7%
  3. Argentina5.9%

* Partner reported figures, a lower bound.

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

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

Frequently asked questions

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

What is Decursidate?

Decursidate has been reported in Halosciastrum melanotilingia.

What is the CAS number of Decursidate?

The CAS registry number of Decursidate is 272122-56-2.

What is the molecular formula and weight of Decursidate?

The molecular formula of Decursidate is C18H18O6 and its molar mass is 330.34 g/mol.

What is Decursidate used for?

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

Is Decursidate hazardous?

No GHS hazard classification for Decursidate 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 Decursidate?

Decursidate is usually classified under HS code 291899 (Carboxylic acids with additional oxygen function and their anhydrides, halides…). This is indicative, confirm it with your customs broker before shipping.

Where can I buy Decursidate?

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What is the price of Decursidate?

Suppliers quote Decursidate 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 Decursidate

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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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