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Screening compounds

Asebotoxin IV

Also known as Grayanotoxane-3,5,6,7,10,14,16-heptol, 6-propanoate, (3beta,6beta,7alpha,14R)-, ((1R,2S,3R,4R,6S,8S,9R,10R,13R,14R,16R)-2,4,6,9,14,16-hexahydroxy-5,5,9,14-tetramethyl-3-tetracyclo(11.2.1.01,10.04,8)hexadecanyl) propanoate, (1S,2S,3R,4R,6R,8R,9S,10S,13S,14R,16S)-2,4,6,9,14,16-Hexahydroxy-5,5,9,14-tetramethyltetracyclo(11.2.1.0,.0,)hexadecan-3-yl propanoic acid

CAS 33476-73-2Formula C23H38O8Molar mass 442.55 g/mol
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Asebotoxin IV chemical structure, C23H38O8, CAS 33476-73-2
2D chemical structure

Key facts

What buyers check first

All properties
CAS number
33476-73-2
Formula
C23H38O8
Molar mass
442.55 g/mol
HS code
291550
Category
Screening compounds

What is Asebotoxin IV?

Plain description, key identifiers and synonyms

Asebotoxin IV has been reported in Pieris japonica and Pieris formosa.

Identifiers

Registry numbers, names and line notations, tap to copy

IUPAC name
[(1R,2S,3R,4R,6S,8S,9R,10R,13R,14R,16R)-2,4,6,9,14,16-hexahydroxy-5,5,9,14-tetramethyl-3-tetracyclo[11.2.1.01,10.04,8]hexadecanyl] propanoate
CAS number
33476-73-2
Molecular formula
C23H38O8
InChIKey
UDJBPAUQWLWDFT-HGAVMHFCSA-N
InChI
InChI=1S/C23H38O8/c1-6-15(25)31-18-17(27)22-10-20(4,28)11(16(22)26)7-8-12(22)21(5,29)13-9-14(24)19(2,3)23(13,18)30/h11-14,16-18,24,26-30H,6-10H2,1-5H3/t11-,12+,13+,14+,16-,17-,18-,20-,21-,22-,23+/m1/s1
Canonical SMILES
CCC(=O)OC1C(O)C23CC(C)(O)C(CCC2C(C)(O)C2CC(O)C(C)(C)C12O)C3O
Isomeric SMILES
CCC(=O)O[C@@H]1[C@H]([C@@]23C[C@@]([C@@H]([C@H]2O)CC[C@H]3[C@@]([C@H]4[C@]1(C([C@H](C4)O)(C)C)O)(C)O)(C)O)O

Synonyms

  • Grayanotoxane-3,5,6,7,10,14,16-heptol, 6-propanoate, (3beta,6beta,7alpha,14R)-
  • ((1R,2S,3R,4R,6S,8S,9R,10R,13R,14R,16R)-2,4,6,9,14,16-hexahydroxy-5,5,9,14-tetramethyl-3-tetracyclo(11.2.1.01,10.04,8)hexadecanyl) propanoate
  • (1S,2S,3R,4R,6R,8R,9S,10S,13S,14R,16S)-2,4,6,9,14,16-Hexahydroxy-5,5,9,14-tetramethyltetracyclo(11.2.1.0,.0,)hexadecan-3-yl propanoic acid
  • (1S,2S,3R,4R,6R,8R,9S,10S,13S,14R,16S)-2,4,6,9,14,16-Hexahydroxy-5,5,9,14-tetramethyltetracyclo[11.2.1.0,.0,]hexadecan-3-yl propanoic acid
  • [(1R,2S,3R,4R,6S,8S,9R,10R,13R,14R,16R)-2,4,6,9,14,16-hexahydroxy-5,5,9,14-tetramethyl-3-tetracyclo[11.2.1.01,10.04,8]hexadecanyl] 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
442.55 g/molcalc.
Exact mass
442.2567 Dacalc.
LogP (octanol/water)
0.1calc.
Topological polar surface area
147.7 Ųcalc.
Hydrogen bond donors
6calc.
Hydrogen bond acceptors
8calc.
Rotatable bonds
2calc.
Heavy atoms
31calc.
Rings
4calc.
Aromatic rings
0calc.
Fraction sp3 carbons
0.96calc.
Formal charge
0calc.
Stereocentres
11calc.
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, C1CC2CCC34CCC(CCC3CC2C1)C4

C1CC2CCC34CCC(CCC3CC2C1)C4

4 rings, 16 atoms.

25 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 IV suppliers

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Asebotoxin IV 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 IV is traded under.

HS 2915.50Indicative HS code

Propionic acid, its salts and esters

World exports in 2024
$421M
+3.2% vs 2023, imports $422M
2019 to 2024
Top exporters
  1. United States26.5%
  2. China22.5%
  3. Netherlands14.6%
Top importers
  1. Netherlands15.2%
  2. India * partner reported7.6%
  3. United States7.6%

* Partner reported figures, a lower bound.

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

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

Frequently asked questions

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

What is Asebotoxin IV?

Asebotoxin IV has been reported in Pieris japonica and Pieris formosa.

What is the CAS number of Asebotoxin IV?

The CAS registry number of Asebotoxin IV is 33476-73-2.

What is the molecular formula and weight of Asebotoxin IV?

The molecular formula of Asebotoxin IV is C23H38O8 and its molar mass is 442.55 g/mol.

What is Asebotoxin IV used for?

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

Is Asebotoxin IV hazardous?

No GHS hazard classification for Asebotoxin IV 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 IV?

Asebotoxin IV is usually classified under HS code 291550 (Propionic acid, its salts and esters). This is indicative, confirm it with your customs broker before shipping.

Where can I buy Asebotoxin IV?

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

What is the price of Asebotoxin IV?

Suppliers quote Asebotoxin IV 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 IV

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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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