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Screening compounds

LongipedlignanE

Also known as Longipedlignan E

CAS 2229859-81-6Formula C27H32O9Molar mass 500.54 g/mol
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LongipedlignanE chemical structure, C27H32O9, CAS 2229859-81-6
2D chemical structure

Key facts

What buyers check first

All properties
CAS number
2229859-81-6
Formula
C27H32O9
Molar mass
500.54 g/mol
HS code
293299
Category
Screening compounds

What is LongipedlignanE?

Plain description, key identifiers and synonyms

LongipedlignanE is a chemical substance with the molecular formula C27H32O9 and a molar mass of 500.54 g/mol. Its CAS registry number is 2229859-81-6. The IUPAC name is (3,9-dihydroxy-4,5,19-trimethoxy-9,10-dimethyl-15,17-dioxatetracyclo[10.7.0.02,7.014,18]nonadeca-1(19),2,4,6,12,14(18)-hexaen-11-yl) (E)-2-methylbut-2-enoate.

Identifiers

Registry numbers, names and line notations, tap to copy

IUPAC name
(3,9-dihydroxy-4,5,19-trimethoxy-9,10-dimethyl-15,17-dioxatetracyclo[10.7.0.02,7.014,18]nonadeca-1(19),2,4,6,12,14(18)-hexaen-11-yl) (E)-2-methylbut-2-enoate
CAS number
2229859-81-6
Molecular formula
C27H32O9
InChIKey
LYPCVMGKEGRLLJ-MDWZMJQESA-N
InChI
InChI=1S/C27H32O9/c1-8-13(2)26(29)36-22-14(3)27(4,30)11-15-9-17(31-5)23(32-6)21(28)19(15)20-16(22)10-18-24(25(20)33-7)35-12-34-18/h8-10,14,22,28,30H,11-12H2,1-7H3/b13-8+
Canonical SMILES
CC=C(C)C(=O)OC1c2cc3c(c(OC)c2-c2c(cc(OC)c(OC)c2O)CC(C)(O)C1C)OCO3
Isomeric SMILES
C/C=C(\C)/C(=O)OC1C(C(CC2=CC(=C(C(=C2C3=C(C4=C(C=C13)OCO4)OC)O)OC)OC)(C)O)C

Synonyms

  • Longipedlignan E

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
500.54 g/molcalc.
Exact mass
500.2046 Dacalc.
LogP (octanol/water)
4.31calc.
Topological polar surface area
112.9 Ųcalc.
Hydrogen bond donors
2calc.
Hydrogen bond acceptors
9calc.
Rotatable bonds
5calc.
Heavy atoms
36calc.
Rings
4calc.
Aromatic rings
2calc.
Fraction sp3 carbons
0.44calc.
Formal charge
0calc.
Stereocentres
3calc.
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, c1ccc2c(c1)CCCCc1cc3c(cc1-2)OCO3

c1ccc2c(c1)CCCCc1cc3c(cc1-2)OCO3

4 rings, 19 atoms.

68 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.

LongipedlignanE suppliers

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LongipedlignanE 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 LongipedlignanE is traded under.

HS 2932.99Indicative HS code

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

World exports in 2024
$3.81B
+10.3% vs 2023, imports $7.05B
2019 to 2024
Top exporters
  1. China28.9%
  2. Switzerland * partner reported12.7%
  3. Germany7.8%
Top importers
  1. United States49.7%
  2. China11.9%
  3. India * partner reported3.3%

* Partner reported figures, a lower bound.

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

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

Frequently asked questions

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

What is LongipedlignanE?

LongipedlignanE is a chemical substance with the molecular formula C27H32O9 and a molar mass of 500.54 g/mol. Its CAS registry number is 2229859-81-6.

What is the CAS number of LongipedlignanE?

The CAS registry number of LongipedlignanE is 2229859-81-6.

What is the molecular formula and weight of LongipedlignanE?

The molecular formula of LongipedlignanE is C27H32O9 and its molar mass is 500.54 g/mol.

What is LongipedlignanE used for?

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

Is LongipedlignanE hazardous?

No GHS hazard classification for LongipedlignanE 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 LongipedlignanE?

LongipedlignanE is usually classified under HS code 293299 (Heterocyclic compounds with oxygen hetero-atom(s) only, other). This is indicative, confirm it with your customs broker before shipping.

Where can I buy LongipedlignanE?

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

What is the price of LongipedlignanE?

Suppliers quote LongipedlignanE 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 LongipedlignanE

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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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