CompoundList
Sign in
Screening compounds

alpha-Cubebin

Also known as (-)-(8R,8'R,9R)-Cubebin, Cubebin (2R,3R,4R)-isomer, 2-Furanol, 3,4-bis(1,3-benzodioxol-5-ylmethyl)tetrahydro-, (2R,3R,4R)-

CAS 112458-74-9Formula C20H20O6Molar mass 356.37 g/mol
Get quotes Safety data
alpha-Cubebin chemical structure, C20H20O6, CAS 112458-74-9
2D chemical structure

Key facts

What buyers check first

All properties
CAS number
112458-74-9
Formula
C20H20O6
Molar mass
356.37 g/mol
HS code
293219
Category
Screening compounds

What is alpha-Cubebin?

Plain description, key identifiers and synonyms

ฮฑ-cubebin has been reported in Lychnophora ericoides, Piper cubeba, and other organisms.

Identifiers

Registry numbers, names and line notations, tap to copy

IUPAC name
(2R,3R,4R)-3,4-bis(1,3-benzodioxol-5-ylmethyl)oxolan-2-ol
CAS number
112458-74-9
Molecular formula
C20H20O6
UNII
36P4X280S1
InChIKey
DIYWRNLYKJKHAM-BXTJHSDWSA-N
InChI
InChI=1S/C20H20O6/c21-20-15(6-13-2-4-17-19(8-13)26-11-24-17)14(9-22-20)5-12-1-3-16-18(7-12)25-10-23-16/h1-4,7-8,14-15,20-21H,5-6,9-11H2/t14-,15+,20+/m0/s1
Canonical SMILES
OC1OCC(Cc2ccc3c(c2)OCO3)C1Cc1ccc2c(c1)OCO2
Isomeric SMILES
C1[C@@H]([C@H]([C@@H](O1)O)CC2=CC3=C(C=C2)OCO3)CC4=CC5=C(C=C4)OCO5

Synonyms

  • (-)-(8R,8'R,9R)-Cubebin
  • Cubebin (2R,3R,4R)-isomer
  • 2-Furanol, 3,4-bis(1,3-benzodioxol-5-ylmethyl)tetrahydro-, (2R,3R,4R)-
  • (2R,3R,4R)-3,4-bis(1,3-benzodioxol-5-ylmethyl)oxolan-2-ol
  • (2R,3R,4R)-3,4-bis(1,3-benzodioxol-5-ylmethyl)tetrahydrofuran-2-ol

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
356.37 g/molcalc.
Exact mass
356.126 Dacalc.
LogP (octanol/water)
2.51calc.
Topological polar surface area
66.38 ร…ยฒcalc.
Hydrogen bond donors
1calc.
Hydrogen bond acceptors
6calc.
Rotatable bonds
4calc.
Heavy atoms
26calc.
Rings
5calc.
Aromatic rings
2calc.
Fraction sp3 carbons
0.4calc.
Formal charge
0calc.
Stereocentres
3calc.
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, c1cc2c(cc1CC1COCC1Cc1ccc3c(c1)OCO3)OCO2

c1cc2c(cc1CC1COCC1Cc1ccc3c(c1)OCO3)OCO2

5 rings, 25 atoms.

5 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.

alpha-Cubebin suppliers

Sponsored listings first, then the documented ranking: membership, verification, replies, completeness, freshness and ratings

No supplier listings yet

Post one free request and suppliers who make or trade alpha-Cubebin can send you quotes. Your contact details stay private until you accept a quote.

Request quotesSell this chemical

alpha-Cubebin price

Indicative price range per kg from live supplier offers

No published prices right now

Suppliers quote this chemical on request. Send one free request and compare quotes side by side.

Get latest price

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 alpha-Cubebin is traded under.

HS 2932.19Indicative HS code

Compounds containing an unfused furan ring (whether or not hydrogenated) in theโ€ฆ

World exports in 2024
$2.62B
โˆ’6.4% vs 2023, imports $2.56B
2019 to 2024
Top exporters
  1. Germany57.9%
  2. Italy11.5%
  3. China10.4%
Top importers
  1. Greece40.4%
  2. Japan16.3%
  3. Germany12.8%
Reported customs values in USD, not prices.Full trade data

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

Frequently asked questions

Quick answers about alpha-Cubebin, based on the data on this page

What is alpha-Cubebin?

ฮฑ-cubebin has been reported in Lychnophora ericoides, Piper cubeba, and other organisms.

What is the CAS number of alpha-Cubebin?

The CAS registry number of alpha-Cubebin is 112458-74-9.

What is the molecular formula and weight of alpha-Cubebin?

The molecular formula of alpha-Cubebin is C20H20O6 and its molar mass is 356.37 g/mol.

What is alpha-Cubebin used for?

Known uses and roles of alpha-Cubebin include building blocks in research and laboratory and screening compounds in research and laboratory.

Is alpha-Cubebin hazardous?

No GHS hazard classification for alpha-Cubebin 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 alpha-Cubebin?

alpha-Cubebin is usually classified under HS code 293219 (Compounds containing an unfused furan ring (whether or not hydrogenated) in theโ€ฆ). This is indicative, confirm it with your customs broker before shipping.

Where can I buy alpha-Cubebin?

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

What is the price of alpha-Cubebin?

Suppliers quote alpha-Cubebin 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 alpha-Cubebin

Get quotes for alpha-Cubebin

Post one free request with your grade, quantity and destination. Matching suppliers send quotes you can compare side by side.
Post a request Sell alpha-Cubebin
Data last updated 7 Oct 2026. Details may have changed, please confirm them with the supplier. Report an error on this page
Embed this structure on your websiteShow code

Paste this code into your page to show the 2D structure of alpha-Cubebin with a 3D view, its CAS number and a link back to this page. Free to use with the link kept.

<iframe src="https://www.compoundlist.com/embed/structure/alpha-cubebin-112458-74-9" title="alpha-Cubebin structure on CompoundList" width="360" height="420" style="border:1px solid #E7E2DA;border-radius:12px;max-width:100%" loading="lazy" referrerpolicy="strict-origin-when-cross-origin"></iframe>
Preview the embed

Explore more in Screening compounds or HS code 293219

Price on request
Free quotes, contact stays private
Get quotes