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Screening compounds

Aspergillusol A

Also known as ((2S,3R)-2,3-dihydroxy-4-((2Z)-2-hydroxyimino-3-(4-hydroxyphenyl)propanoyl)oxybutyl) (2Z)-2-hydroxyimino-3-(4-hydroxyphenyl)propanoate, [(2S,3R)-2,3-dihydroxy-4-[(2Z)-2-hydroxyimino-3-(4-hydroxyphenyl)propanoyl]oxy-butyl] (2Z)-2-hydroxyimino-3-(4-hydroxyphenyl)propanoate

CAS 1190840-79-9Formula C22H24N2O10Molar mass 476.44 g/mol
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Aspergillusol A chemical structure, C22H24N2O10, CAS 1190840-79-9
2D chemical structure

Key facts

What buyers check first

All properties
CAS number
1190840-79-9
Formula
C22H24N2O10
Molar mass
476.44 g/mol
HS code
292800
Category
Screening compounds

What is Aspergillusol A?

Plain description, key identifiers and synonyms

aspergillusol A has been reported in Aspergillus aculeatus.

Identifiers

Registry numbers, names and line notations, tap to copy

IUPAC name
[(2S,3R)-2,3-dihydroxy-4-[(2Z)-2-hydroxyimino-3-(4-hydroxyphenyl)propanoyl]oxybutyl] (2Z)-2-hydroxyimino-3-(4-hydroxyphenyl)propanoate
CAS number
1190840-79-9
Molecular formula
C22H24N2O10
InChIKey
BXRQJOBHKCDAJW-KMMADPOHSA-N
InChI
InChI=1S/C22H24N2O10/c25-15-5-1-13(2-6-15)9-17(23-31)21(29)33-11-19(27)20(28)12-34-22(30)18(24-32)10-14-3-7-16(26)8-4-14/h1-8,19-20,25-28,31-32H,9-12H2/b23-17-,24-18-/t19-,20+
Canonical SMILES
O=C(OCC(O)C(O)COC(=O)C(Cc1ccc(O)cc1)=NO)C(Cc1ccc(O)cc1)=NO
Isomeric SMILES
C1=CC(=CC=C1C/C(=N/O)/C(=O)OC[C@@H](O)[C@@H](O)COC(=O)/C(=N\O)/CC2=CC=C(C=C2)O)O

Synonyms

  • ((2S,3R)-2,3-dihydroxy-4-((2Z)-2-hydroxyimino-3-(4-hydroxyphenyl)propanoyl)oxybutyl) (2Z)-2-hydroxyimino-3-(4-hydroxyphenyl)propanoate
  • [(2S,3R)-2,3-dihydroxy-4-[(2Z)-2-hydroxyimino-3-(4-hydroxyphenyl)propanoyl]oxy-butyl] (2Z)-2-hydroxyimino-3-(4-hydroxyphenyl)propanoate

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
476.44 g/molcalc.
Exact mass
476.1431 Dacalc.
LogP (octanol/water)
0.35calc.
Topological polar surface area
198.7 Ųcalc.
Hydrogen bond donors
6calc.
Hydrogen bond acceptors
12calc.
Rotatable bonds
11calc.
Heavy atoms
34calc.
Rings
2calc.
Aromatic rings
2calc.
Fraction sp3 carbons
0.27calc.
Formal charge
0calc.
Stereocentres
2calc.
Lipinski rule of five
Fails (2 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, N=C(Cc1ccccc1)C(=O)OCCCCOC(=O)C(=N)Cc1ccccc1

N=C(Cc1ccccc1)C(=O)OCCCCOC(=O)C(=N)Cc1ccccc1

2 rings, 28 atoms.

No other chemical in our database has 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.

Aspergillusol A suppliers

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Aspergillusol A 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 Aspergillusol A is traded under.

HS 2928.00Indicative HS code

Organic derivatives of hydrazine or of hydroxylamine

World exports in 2024
$1.38B
−9.0% vs 2023, imports $1.52B
2019 to 2024
Top exporters
  1. Switzerland * partner reported44.0%
  2. China18.4%
  3. Italy9.4%
Top importers
  1. Brazil21.8%
  2. United States12.8%
  3. Italy10.8%

* Partner reported figures, a lower bound.

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

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

Frequently asked questions

Quick answers about Aspergillusol A, based on the data on this page

What is Aspergillusol A?

aspergillusol A has been reported in Aspergillus aculeatus.

What is the CAS number of Aspergillusol A?

The CAS registry number of Aspergillusol A is 1190840-79-9.

What is the molecular formula and weight of Aspergillusol A?

The molecular formula of Aspergillusol A is C22H24N2O10 and its molar mass is 476.44 g/mol.

What is Aspergillusol A used for?

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

Is Aspergillusol A hazardous?

No GHS hazard classification for Aspergillusol A 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 Aspergillusol A?

Aspergillusol A is usually classified under HS code 292800 (Organic derivatives of hydrazine or of hydroxylamine). This is indicative, confirm it with your customs broker before shipping.

Where can I buy Aspergillusol A?

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

What is the price of Aspergillusol A?

Suppliers quote Aspergillusol A 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 Aspergillusol A

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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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