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Heterocyclic building blocks

Asperilin

Also known as (3aR,4aS,8R,8aR,9aR)-8-hydroxy-8a-methyl-3,5-dimethylidene-3a,4,4a,6,7,8,9,9a-octahydrobenzo[f][1]benzofuran-2-one, (3aR,4aS,8R,8aR,9aR)-8-hydroxy-8a-methyl-3,5-dimethylidene-3a,4,4a,6,7,8,9,9a-octahydrobenzo(f)(1)benzofuran-2-one, (3ar,4as,8r,8ar,9ar)-8-hydroxy-8a-methyl-3,5-dimethylidenedecahydronaphtho[2,3-b]furan-2(3h)-one

CAS 7044-35-1Formula C15H20O3Molar mass 248.32 g/mol
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Asperilin chemical structure, C15H20O3, CAS 7044-35-1
2D chemical structure

Key facts

What buyers check first

All properties
CAS number
7044-35-1
Formula
C15H20O3
Molar mass
248.32 g/mol
HS code
293220
Category
Heterocyclic building blocks

What is Asperilin?

Plain description, key identifiers and synonyms

Asperilin has been reported in Inula japonica, Telekia speciosa, and other organisms.

Identifiers

Registry numbers, names and line notations, tap to copy

IUPAC name
(3aR,4aS,8R,8aR,9aR)-8-hydroxy-8a-methyl-3,5-dimethylidene-3a,4,4a,6,7,8,9,9a-octahydrobenzo[f][1]benzofuran-2-one
CAS number
7044-35-1 CAS number cross-checked
Molecular formula
C15H20O3
InChIKey
GAUPAOVCTWBVKC-WPLOAARJSA-N
InChI
InChI=1S/C15H20O3/c1-8-4-5-13(16)15(3)7-12-10(6-11(8)15)9(2)14(17)18-12/h10-13,16H,1-2,4-7H2,3H3/t10-,11+,12-,13-,15-/m1/s1
Canonical SMILES
C=C1C(=O)OC2CC3(C)C(O)CCC(=C)C3CC12
Isomeric SMILES
C[C@@]12C[C@@H]3[C@H](C[C@H]1C(=C)CC[C@H]2O)C(=C)C(=O)O3

Synonyms

  • (3aR,4aS,8R,8aR,9aR)-8-hydroxy-8a-methyl-3,5-dimethylidene-3a,4,4a,6,7,8,9,9a-octahydrobenzo[f][1]benzofuran-2-one
  • (3aR,4aS,8R,8aR,9aR)-8-hydroxy-8a-methyl-3,5-dimethylidene-3a,4,4a,6,7,8,9,9a-octahydrobenzo(f)(1)benzofuran-2-one
  • (3ar,4as,8r,8ar,9ar)-8-hydroxy-8a-methyl-3,5-dimethylidenedecahydronaphtho[2,3-b]furan-2(3h)-one

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
248.32 g/molcalc.
Exact mass
248.1412 Dacalc.
LogP (octanol/water)
2.21calc.
Topological polar surface area
46.53 Ųcalc.
Hydrogen bond donors
1calc.
Hydrogen bond acceptors
3calc.
Rotatable bonds
0calc.
Heavy atoms
18calc.
Rings
3calc.
Aromatic rings
0calc.
Fraction sp3 carbons
0.67calc.
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, C=C1CCCC2CC3OC(=O)C(=C)C3CC12

C=C1CCCC2CC3OC(=O)C(=C)C3CC12

3 rings, 16 atoms.

16 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.

Asperilin suppliers

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Asperilin 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 Asperilin 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 Asperilin is indicative (it was assigned by structure rules). Confirm the classification with your customs broker before shipping.

Frequently asked questions

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

What is Asperilin?

Asperilin has been reported in Inula japonica, Telekia speciosa, and other organisms.

What is the CAS number of Asperilin?

The CAS registry number of Asperilin is 7044-35-1.

What is the molecular formula and weight of Asperilin?

The molecular formula of Asperilin is C15H20O3 and its molar mass is 248.32 g/mol.

What is Asperilin used for?

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

Is Asperilin hazardous?

No GHS hazard classification for Asperilin 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 Asperilin?

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

Where can I buy Asperilin?

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

What is the price of Asperilin?

Suppliers quote Asperilin 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 Asperilin

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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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