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Screening compounds

Asebotoxin III

Also known as acebotoxin III, (3,4,10,15-tetrahydroxy-5,5,10,15-tetramethyl-7-oxapentacyclo[12.2.1.01,11.04,9.06,8]heptadecan-17-yl) 2-hydroxypropanoate, (3,4,10,15-tetrahydroxy-5,5,10,15-tetramethyl-7-oxapentacyclo(12.2.1.01,11.04,9.06,8)heptadecan-17-yl) 2-hydroxypropanoate

CAS 28894-73-7Formula C23H36O8Molar mass 440.53 g/mol
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Asebotoxin III chemical structure, C23H36O8, CAS 28894-73-7
2D chemical structure

Key facts

What buyers check first

All properties
CAS number
28894-73-7
Formula
C23H36O8
Molar mass
440.53 g/mol
HS code
291811
Category
Screening compounds

What is Asebotoxin III?

Plain description, key identifiers and synonyms

Asebotoxin III has been reported in Pieris japonica.

Identifiers

Registry numbers, names and line notations, tap to copy

IUPAC name
(3,4,10,15-tetrahydroxy-5,5,10,15-tetramethyl-7-oxapentacyclo[12.2.1.01,11.04,9.06,8]heptadecan-17-yl) 2-hydroxypropanoate
CAS number
28894-73-7 CAS number cross-checked
Molecular formula
C23H36O8
InChIKey
PTPFNNBWQYPEKV-UHFFFAOYSA-N
InChI
InChI=1S/C23H36O8/c1-10(24)18(26)31-16-11-6-7-12-21(5,28)15-14-17(30-14)19(2,3)23(15,29)13(25)8-22(12,16)9-20(11,4)27/h10-17,24-25,27-29H,6-9H2,1-5H3
SMILES (canonical and isomeric)
CC(C(=O)OC1C2CCC3C1(CC(C4(C(C3(C)O)C5C(C4(C)C)O5)O)O)CC2(C)O)O

Synonyms

  • acebotoxin III
  • (3,4,10,15-tetrahydroxy-5,5,10,15-tetramethyl-7-oxapentacyclo[12.2.1.01,11.04,9.06,8]heptadecan-17-yl) 2-hydroxypropanoate
  • (3,4,10,15-tetrahydroxy-5,5,10,15-tetramethyl-7-oxapentacyclo(12.2.1.01,11.04,9.06,8)heptadecan-17-yl) 2-hydroxypropanoate
  • grayanotoxane-5,610,14,16-pentol, 2,3-epoxy-,14-(2-hydroxypropanoate), (2beta,3beta,6beta,14R)-
  • 5,6,10,16-tetrahydroxy-2,3-epoxygrayanotoxan-14-yl 2-hydroxypropanoate
  • Grayanotoxane-5,6,10,14,16-pentol, 2,3-epoxy-, 14-(2-hydroxypropanoate), (2beta,3beta,6beta,14R)-

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
440.53 g/molcalc.
Exact mass
440.241 Dacalc.
LogP (octanol/water)
0.12calc.
Topological polar surface area
140 Ųcalc.
Hydrogen bond donors
5calc.
Hydrogen bond acceptors
8calc.
Rotatable bonds
2calc.
Heavy atoms
31calc.
Rings
5calc.
Aromatic rings
0calc.
Fraction sp3 carbons
0.96calc.
Formal charge
0calc.
Stereocentres
12calc.
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, C1CC2CC3C(CCC24CCC1C4)CC1OC13

C1CC2CC3C(CCC24CCC1C4)CC1OC13

5 rings, 17 atoms.

11 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.

Asebotoxin III suppliers

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Asebotoxin III 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 Asebotoxin III is traded under.

HS 2918.11Indicative HS code

Lactic acid, its salts and esters

World exports in 2024
$635M
+9.6% vs 2023, imports $719M
2019 to 2024
Top exporters
  1. China22.0%
  2. Thailand20.0%
  3. Spain11.4%
Top importers
  1. United States11.6%
  2. Spain10.3%
  3. Germany7.9%
Reported customs values in USD, not prices.Full trade data

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

Frequently asked questions

Quick answers about Asebotoxin III, based on the data on this page

What is Asebotoxin III?

Asebotoxin III has been reported in Pieris japonica.

What is the CAS number of Asebotoxin III?

The CAS registry number of Asebotoxin III is 28894-73-7.

What is the molecular formula and weight of Asebotoxin III?

The molecular formula of Asebotoxin III is C23H36O8 and its molar mass is 440.53 g/mol.

What is Asebotoxin III used for?

Known uses and roles of Asebotoxin III include cooling agents in flavors and fragrances, building blocks in research and laboratory and screening compounds in research and laboratory.

Is Asebotoxin III hazardous?

No GHS hazard classification for Asebotoxin III 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 Asebotoxin III?

Asebotoxin III is usually classified under HS code 291811 (Lactic acid, its salts and esters). This is indicative, confirm it with your customs broker before shipping.

Where can I buy Asebotoxin III?

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

What is the price of Asebotoxin III?

Suppliers quote Asebotoxin III 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 Asebotoxin III

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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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