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Screening compounds

Desacetylaustin

Also known as Austin, o17-deacetyl-

CAS 72040-27-8Formula C25H30O8Molar mass 458.51 g/mol
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Desacetylaustin chemical structure, C25H30O8, CAS 72040-27-8
2D chemical structure

Key facts

What buyers check first

All properties
CAS number
72040-27-8
Formula
C25H30O8
Molar mass
458.51 g/mol
HS code
293220
Category
Screening compounds

What is Desacetylaustin?

Plain description, key identifiers and synonyms

Unii-6Z34580guz has been reported in Aspergillus stellatus, Aspergillus ustus, and Aspergillus nidulans.

Identifiers

Registry numbers, names and line notations, tap to copy

IUPAC name
(1R,2S,5R,8S,9S,12R,13R)-8,12-dihydroxy-2,6,6',6',9,13-hexamethyl-16-methylidenespiro[10,14-dioxatetracyclo[7.6.1.01,12.02,7]hexadec-6-ene-5,5'-pyran]-2',11,15-trione
CAS number
72040-27-8 CAS number cross-checked
Molecular formula
C25H30O8
UNII
6Z34580GUZ
InChIKey
DNKFADXVMUNRRM-XOPCMRBUSA-N
InChI
InChI=1S/C25H30O8/c1-12-16-17(27)22(7)13(2)24(18(28)31-14(3)25(24,30)19(29)33-22)21(16,6)10-11-23(12)9-8-15(26)32-20(23,4)5/h8-9,14,17,27,30H,2,10-11H2,1,3-7H3/t14-,17+,21+,22+,23+,24+,25-/m1/s1
Canonical SMILES
C=C1C2(C)OC(=O)C3(O)C(C)OC(=O)C13C1(C)CCC3(C=CC(=O)OC3(C)C)C(C)=C1C2O
Isomeric SMILES
C[C@@H]1[C@]2(C(=O)O[C@@]3([C@H](C4=C([C@@]5(CC[C@@]4([C@]2(C3=C)C(=O)O1)C)C=CC(=O)OC5(C)C)C)O)C)O

Synonyms

  • Austin, o17-deacetyl-

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
458.51 g/molcalc.
Exact mass
458.1941 Dacalc.
LogP (octanol/water)
1.89calc.
Topological polar surface area
119.4 Ųcalc.
Hydrogen bond donors
2calc.
Hydrogen bond acceptors
8calc.
Rotatable bonds
0calc.
Heavy atoms
33calc.
Rings
5calc.
Aromatic rings
0calc.
Fraction sp3 carbons
0.64calc.
Formal charge
0calc.
Stereocentres
7calc.
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=C1C2CC3=CC4(C=CC(=O)OC4)CCC3C13C(=O)OCC3C(=O)O2

C=C1C2CC3=CC4(C=CC(=O)OC4)CCC3C13C(=O)OCC3C(=O)O2

5 rings, 25 atoms.

2 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.

Desacetylaustin suppliers

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

Frequently asked questions

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

What is Desacetylaustin?

Unii-6Z34580guz has been reported in Aspergillus stellatus, Aspergillus ustus, and Aspergillus nidulans.

What is the CAS number of Desacetylaustin?

The CAS registry number of Desacetylaustin is 72040-27-8.

What is the molecular formula and weight of Desacetylaustin?

The molecular formula of Desacetylaustin is C25H30O8 and its molar mass is 458.51 g/mol.

What is Desacetylaustin used for?

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

Is Desacetylaustin hazardous?

No GHS hazard classification for Desacetylaustin 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 Desacetylaustin?

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

Where can I buy Desacetylaustin?

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

What is the price of Desacetylaustin?

Suppliers quote Desacetylaustin 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 Desacetylaustin

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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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