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Screening compounds

Wikstroelide A

Also known as 12beta-acetoxyhuratoxin, Acetoxyhuratoxin, Subtoxin A

CAS 73061-92-4Formula C36H50O10Molar mass 642.79 g/mol
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Wikstroelide A chemical structure, C36H50O10, CAS 73061-92-4
2D chemical structure

Key facts

What buyers check first

All properties
CAS number
73061-92-4
Formula
C36H50O10
Molar mass
642.79 g/mol
HS code
293299
Category
Screening compounds

What is Wikstroelide A?

Plain description, key identifiers and synonyms

12beta-Acetoxyhuratoxin has been reported in Stellera chamaejasme, Pimelea simplex, and Wikstroemia retusa.

Identifiers

Registry numbers, names and line notations, tap to copy

IUPAC name
[(2R,6S,7S,8R,10S,11S,12R,14R,16S,17R,18R)-6,7-dihydroxy-8-(hydroxymethyl)-4,18-dimethyl-5-oxo-16-prop-1-en-2-yl-14-[(1E,3E)-trideca-1,3-dienyl]-9,13,15,19-tetraoxahexacyclo[12.4.1.01,11.02,6.08,10.012,16]nonadec-3-en-17-yl] acetate
CAS number
73061-92-4
Molecular formula
C36H50O10
InChIKey
ADIURPPZKNTYEV-WGJOEDDZSA-N
InChI
InChI=1S/C36H50O10/c1-7-8-9-10-11-12-13-14-15-16-17-18-33-44-30-26-29-32(20-37,43-29)31(40)34(41)25(19-22(4)27(34)39)36(26,46-33)23(5)28(42-24(6)38)35(30,45-33)21(2)3/h15-19,23,25-26,28-31,37,40-41H,2,7-14,20H2,1,3-6H3/b16-15+,18-17+/t23-,25-,26+,28-,29+,30-,31-,32+,33+,34-,35+,36?/m1/s1
Canonical SMILES
C=C(C)C12OC3(C=CC=CCCCCCCCCC)OC1C1C4OC4(CO)C(O)C4(O)C(=O)C(C)=CC4C1(O3)C(C)C2OC(C)=O
Isomeric SMILES
CCCCCCCCC/C=C/C=C/[C@@]12O[C@@H]3[C@@H]4[C@H]5[C@](O5)([C@H]([C@]6([C@H](C4(O1)[C@@H]([C@H]([C@@]3(O2)C(=C)C)OC(=O)C)C)C=C(C6=O)C)O)O)CO

Synonyms

  • 12beta-acetoxyhuratoxin
  • Acetoxyhuratoxin
  • Subtoxin A
  • Huratoxin, 12-(acetyloxy)-, (12beta)-

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
642.79 g/molcalc.
Exact mass
642.3404 Dacalc.
LogP (octanol/water)
3.97calc.
Topological polar surface area
144.3 Ųcalc.
Hydrogen bond donors
3calc.
Hydrogen bond acceptors
10calc.
Rotatable bonds
13calc.
Heavy atoms
46calc.
Rings
6calc.
Aromatic rings
0calc.
Fraction sp3 carbons
0.72calc.
Formal charge
0calc.
Stereocentres
12calc.
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, O=C1C=CC2C1CC1OC1C1C3OC4OC3CCC21O4

O=C1C=CC2C1CC1OC1C1C3OC4OC3CCC21O4

6 rings, 20 atoms.

12 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.

Wikstroelide A suppliers

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Wikstroelide A 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 Wikstroelide A is traded under.

HS 2932.99Indicative HS code

Heterocyclic compounds with oxygen hetero-atom(s) only, other

World exports in 2024
$3.81B
+10.3% vs 2023, imports $7.05B
2019 to 2024
Top exporters
  1. China28.9%
  2. Switzerland * partner reported12.7%
  3. Germany7.8%
Top importers
  1. United States49.7%
  2. China11.9%
  3. India * partner reported3.3%

* Partner reported figures, a lower bound.

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

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

Frequently asked questions

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

What is Wikstroelide A?

12beta-Acetoxyhuratoxin has been reported in Stellera chamaejasme, Pimelea simplex, and Wikstroemia retusa.

What is the CAS number of Wikstroelide A?

The CAS registry number of Wikstroelide A is 73061-92-4.

What is the molecular formula and weight of Wikstroelide A?

The molecular formula of Wikstroelide A is C36H50O10 and its molar mass is 642.79 g/mol.

What is Wikstroelide A used for?

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

Is Wikstroelide A hazardous?

No GHS hazard classification for Wikstroelide 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 Wikstroelide A?

Wikstroelide A is usually classified under HS code 293299 (Heterocyclic compounds with oxygen hetero-atom(s) only, other). This is indicative, confirm it with your customs broker before shipping.

Where can I buy Wikstroelide A?

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

What is the price of Wikstroelide A?

Suppliers quote Wikstroelide 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 Wikstroelide 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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