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Screening compounds

Lappaol D

Also known as 2(3H)-Furanone, 4-((3,4-dimethoxyphenyl)methyl)dihydro-3-((4-hydroxy-3-(2-hydroxy-2-(4-hydroxy-3-methoxyphenyl)-1-(hydroxymethyl)ethyl)-5-methoxyphenyl)methyl)-

CAS 64855-01-2Formula C31H36O10Molar mass 568.62 g/mol
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Lappaol D chemical structure, C31H36O10, CAS 64855-01-2
2D chemical structure

Key facts

What buyers check first

All properties
CAS number
64855-01-2
Formula
C31H36O10
Molar mass
568.62 g/mol
HS code
293220
Category
Screening compounds

What is Lappaol D?

Plain description, key identifiers and synonyms

lappaol D has been reported in Arctium lappa, Arctium, and Cousinia.

Identifiers

Registry numbers, names and line notations, tap to copy

IUPAC name
(3R,4R)-3-[[3-[1,3-dihydroxy-1-(4-hydroxy-3-methoxyphenyl)propan-2-yl]-4-hydroxy-5-methoxyphenyl]methyl]-4-[(3,4-dimethoxyphenyl)methyl]oxolan-2-one
CAS number
64855-01-2
Molecular formula
C31H36O10
UNII
FTI1E186L5
InChIKey
HDTODGZKAUQBPM-DVYQMHLFSA-N
InChI
InChI=1S/C31H36O10/c1-37-25-8-5-17(12-27(25)39-3)9-20-16-41-31(36)21(20)10-18-11-22(30(35)28(13-18)40-4)23(15-32)29(34)19-6-7-24(33)26(14-19)38-2/h5-8,11-14,20-21,23,29,32-35H,9-10,15-16H2,1-4H3/t20-,21+,23?,29?/m0/s1
Canonical SMILES
COc1cc(C(O)C(CO)c2cc(CC3C(=O)OCC3Cc3ccc(OC)c(OC)c3)cc(OC)c2O)ccc1O
Isomeric SMILES
COC1=C(C=C(C=C1)C[C@H]2COC(=O)[C@@H]2CC3=CC(=C(C(=C3)OC)O)C(CO)C(C4=CC(=C(C=C4)O)OC)O)OC

Synonyms

  • 2(3H)-Furanone, 4-((3,4-dimethoxyphenyl)methyl)dihydro-3-((4-hydroxy-3-(2-hydroxy-2-(4-hydroxy-3-methoxyphenyl)-1-(hydroxymethyl)ethyl)-5-methoxyphenyl)methyl)-

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
568.62 g/molcalc.
Exact mass
568.2308 Dacalc.
LogP (octanol/water)
3.52calc.
Topological polar surface area
144.1 Ųcalc.
Hydrogen bond donors
4calc.
Hydrogen bond acceptors
10calc.
Rotatable bonds
12calc.
Heavy atoms
41calc.
Rings
4calc.
Aromatic rings
3calc.
Fraction sp3 carbons
0.39calc.
Formal charge
0calc.
Stereocentres
4calc.
Lipinski rule of five
Passes (1 violation)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=C1OCC(Cc2ccccc2)C1Cc1cccc(CCc2ccccc2)c1

O=C1OCC(Cc2ccccc2)C1Cc1cccc(CCc2ccccc2)c1

4 rings, 28 atoms.

1 other chemical 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.

Lappaol D suppliers

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Lappaol D 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 Lappaol D is traded under.

HS 2932.20Indicative HS code

Lactones

World exports in 2024
$1.97B
−4.7% vs 2023, imports $2.07B
2019 to 2024
Top exporters
  1. China56.3%
  2. India * partner reported7.4%
  3. Germany7.3%
Top importers
  1. United States14.2%
  2. India * partner reported13.5%
  3. Brazil8.5%

* Partner reported figures, a lower bound.

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

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

Frequently asked questions

Quick answers about Lappaol D, based on the data on this page

What is Lappaol D?

lappaol D has been reported in Arctium lappa, Arctium, and Cousinia.

What is the CAS number of Lappaol D?

The CAS registry number of Lappaol D is 64855-01-2.

What is the molecular formula and weight of Lappaol D?

The molecular formula of Lappaol D is C31H36O10 and its molar mass is 568.62 g/mol.

What is Lappaol D used for?

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

Is Lappaol D hazardous?

No GHS hazard classification for Lappaol D 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 Lappaol D?

Lappaol D is usually classified under HS code 293220 (Lactones). This is indicative, confirm it with your customs broker before shipping.

Where can I buy Lappaol D?

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

What is the price of Lappaol D?

Suppliers quote Lappaol D 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 Lappaol D

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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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