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Impurities and reference standards

Aucubin

Also known as 1,4a,5,7a-Tetrahydro-5-hydroxy-7-hydroxymethylcyclopenta(c)pyran-1-yl-beta-D-glucopyranoside, (2S,3R,4S,5S,6R)-2-[[(1S,4aR,5S,7aS)-5-hydroxy-7-(hydroxymethyl)-1,4a,5,7a-tetrahydrocyclopenta[c]pyran-1-yl]oxy]-6-(hydroxymethyl)oxane-3,4,5-triol, aucubuside

CAS 479-98-1Formula C15H22O9Molar mass 346.33 g/molEC 207-540-8
GHS signal word: Warning. Pictograms: Harmful or irritant 11 suppliers listed
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Aucubin chemical structure, C15H22O9, CAS 479-98-1
2D chemical structure

Key facts

What buyers check first

All properties
CAS number
479-98-1
Formula
C15H22O9
Molar mass
346.33 g/mol
EC number
207-540-8
HS code
293890
Category
Impurities and reference standards

What is Aucubin?

Plain description, key identifiers and synonyms

Aucubin is an organic molecular entity. It has a role as a metabolite.

Identifiers

Registry numbers, names and line notations, tap to copy

IUPAC name
(2S,3R,4S,5S,6R)-2-[[(1S,4aR,5S,7aS)-5-hydroxy-7-(hydroxymethyl)-1,4a,5,7a-tetrahydrocyclopenta[c]pyran-1-yl]oxy]-6-(hydroxymethyl)oxane-3,4,5-triol
CAS number
479-98-1 CAS number cross-checked
EC number
207-540-8
Molecular formula
C15H22O9
UNII
2G52GS8UML
MDL number
MFCD00136026
InChIKey
RJWJHRPNHPHBRN-FKVJWERZSA-N
InChI
InChI=1S/C15H22O9/c16-4-6-3-8(18)7-1-2-22-14(10(6)7)24-15-13(21)12(20)11(19)9(5-17)23-15/h1-3,7-21H,4-5H2/t7-,8+,9+,10+,11+,12-,13+,14-,15-/m0/s1
Canonical SMILES
OCC1=CC(O)C2C=COC(OC3OC(CO)C(O)C(O)C3O)C12
Isomeric SMILES
C1=CO[C@H]([C@H]2[C@@H]1[C@@H](C=C2CO)O)O[C@H]3[C@@H]([C@H]([C@@H]([C@H](O3)CO)O)O)O

Synonyms

  • 1,4a,5,7a-Tetrahydro-5-hydroxy-7-hydroxymethylcyclopenta(c)pyran-1-yl-beta-D-glucopyranoside
  • (2S,3R,4S,5S,6R)-2-[[(1S,4aR,5S,7aS)-5-hydroxy-7-(hydroxymethyl)-1,4a,5,7a-tetrahydrocyclopenta[c]pyran-1-yl]oxy]-6-(hydroxymethyl)oxane-3,4,5-triol
  • aucubuside
  • (2S,3R,4S,5S,6R)-2-(((1S,4aR,5S,7aS)-5-hydroxy-7-(hydroxymethyl)-1,4a,5,7a-tetrahydrocyclopenta(c)pyran-1-yl)oxy)-6-(hydroxymethyl)oxane-3,4,5-triol
  • Aucuboside
  • Aucubine
  • (2S,3R,4S,5S,6R)-2-[[(1S,4aR,5S,7aS)-5-hydroxy-7-(hydroxymethyl)-1,4a,5,7a-tetrahydrocyclopenta[c]pyran-1-yl]oxy]-6-(hydroxymethyl)tetrahydropyran-3,4,5-triol
  • (2S,3R,4S,5S,6R)-2-{[(1S,4aR,5S,7aS)-5-hydroxy-7-(hydroxymethyl)-1H,4aH,5H,7aH-cyclopenta[c]pyran-1-yl]oxy}-6-(hydroxymethyl)oxane-3,4,5-triol
  • (1S-(1alpha,4aalpha,5alpha,7aalpha))-1,4a,5,7a-Tetrahydro-5-hydroxy-7-(hydroxymethyl)cyclopenta(c)pyran-1-yl-beta-D-glucopyranoside
  • [1S-(1alpha,4aalpha,5alpha,7aalpha)]-1,4a,5,7a-tetrahydro-5-hydroxy-7-(hydroxymethyl)cyclopenta[c]pyran-1-yl-beta-D-glucopyranoside
  • 6-Epiaucubin
  • Aucubin (Standard)
  • Aucubin (Rhinanthin)
  • Aucubin, analytical standard
  • ACon1_002452
  • Aucubin, primary pharmaceutical reference standard
  • (2S,3R,4S,5S,6R)-2-[[(1S,4aR,5S,7aS)-5-hy
  • 1,4a,5,7a-tetra-5-hydroxy-7-(hydroxymethyl) cyclopenta(c)pyran-1-yl-beta-D-glucopyranoside
  • (1S,4?R,5S,7?S)-1-4?,5,7?-Tetrahydro-5-hydroxy-7-(hydroxymethyl)cyclopenta[c]pyran-1-yl ?-D-glucopyranoside
  • (1S,4ar,5S,7as)-1,4a,5,7a-tetrahydro-5-hydroxy-7-(hydroxymethyl)cyclopenta(c)pyran-1-yl-beta-d-glucopyranoside
  • (1S,4aR,5S,7aS)-1,4a,5,7a-Tetrahydro-5-hydroxy-7-(hydroxymethyl)cyclopenta[c]pyran-1-yl |A-D-glucopyranoside
  • (1S,4aR,5S,7aS)-5-Hydroxy-7-(hydroxymethyl)-1,4a,5,7a-tetrahydrocyclopenta[c]pyran-1-yl beta-D-glucopyranoside
  • (2S,3R,4S,5S,6R)-2-((1S,4aR,5R,7aS)-5-Hydroxy-7-hydroxymethyl-1,4a,5,7a-tetrahydro-cyclopenta[c]pyran-1-yloxy)-6-hydroxymethyl-tetrahydro-pyran-3,4,5-triol
  • (2S,3R,4S,5S,6R)-2-((1S,4aR,5S,7aS)-5-hydroxy-7-(hydroxymethyl)-1,4a,5,7a-tetrahydrocyclopenta[c]pyran-1-yloxy)-6-(hydroxymethyl)tetrahydro-2H-pyran-3,4,5-triol
  • beta-D-Glucopyranoside, (1S,4aR,5S,7aS)-1,4a,5,7a-tetrahydro-5-hydroxy-7-(hydroxymethyl)cyclopenta[c]pyran-1-yl

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
346.33 g/molcalc.
Exact mass
346.1264 Dacalc.
LogP (octanol/water)
-2.8calc.
Topological polar surface area
149.1 Ųcalc.
Hydrogen bond donors
6calc.
Hydrogen bond acceptors
9calc.
Rotatable bonds
4calc.
Heavy atoms
24calc.
Rings
3calc.
Aromatic rings
0calc.
Fraction sp3 carbons
0.73calc.
Formal charge
0calc.
Stereocentres
9calc.
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, C1=CC2C(C=COC2OC2CCCCO2)C1

C1=CC2C(C=COC2OC2CCCCO2)C1

3 rings, 16 atoms.

32 other chemicals share this scaffold

Safety and hazards

GHS classification summary, not a safety data sheet

GHS signal word
Warning
GHS07: Harmful or irritant
Harmful or irritant

Hazard statements

  • H302Harmful if swallowed.
Precautionary statements (5)
  • P264Wash skin thoroughly after handling.
  • P270Do not eat, drink or smoke when using this product.
  • P301 + P317If swallowed: Get medical help.
  • P330Rinse mouth.
  • P501Dispose of contents and container in accordance with local regulations.

GHS classification summary, not a safety data sheet (SDS). Classifications can differ by supplier, grade and concentration. Always check the supplier's SDS.

Full safety data and first aid

Aucubin suppliers

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All 11 suppliers
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Where suppliers are based

11 suppliers in 3 countries

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Aucubin 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

Roles

  • metabolite

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 Aucubin is traded under.

HS 2938.90Indicative HS code

Natural or reproduced by synthesis, other than rutoside (rutin) and its derivatives

World exports in 2024
$1.4B
−8.3% vs 2023, imports $1.35B
2019 to 2024
Top exporters
  1. China49.2%
  2. France * partner reported8.9%
  3. Malaysia6.1%
Top importers
  1. United States22.3%
  2. India * partner reported7.8%
  3. Brazil5.5%

* Partner reported figures, a lower bound.

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

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

Frequently asked questions

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

What is Aucubin?

Aucubin is an organic molecular entity. It has a role as a metabolite.

What is the CAS number of Aucubin?

The CAS registry number of Aucubin is 479-98-1.

What is the molecular formula and weight of Aucubin?

The molecular formula of Aucubin is C15H22O9 and its molar mass is 346.33 g/mol.

What is Aucubin used for?

Known uses and roles of Aucubin include metabolite.

Is Aucubin hazardous?

Aucubin carries the GHS signal word "Warning". Main hazards: harmful if swallowed. This summary is not an SDS, always read the supplier safety data sheet.

What is the HS code of Aucubin?

Aucubin is usually classified under HS code 293890 (Glycosides, natural or reproduced by synthesis, and their salts, ethers, esters and…). This is indicative, confirm it with your customs broker before shipping.

Where can I buy Aucubin?

CompoundList lists 11 suppliers of Aucubin in China, United States and Netherlands. Send one free request to get and compare quotes. Your contact details stay private until you accept a quote.

What is the price of Aucubin?

Suppliers quote Aucubin 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 Aucubin

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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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