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Esters and lactones

Pedilstatin

Also known as 13-O-Acetyl-12-O-(2'Z,4'E-octadienoyl)-4alpha-deoxyphorbol, 4-deoxy-4alpha-phorbol 13-acetate 12-(2Z,4E)-octa-2,4-dienoate, 12-O-2Z,4E-Octadienoyl-4-deoxyphorbol 13-acetate

CAS 70028-76-1Formula C30H40O7Molar mass 512.64 g/mol
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Pedilstatin chemical structure, C30H40O7, CAS 70028-76-1
2D chemical structure

Key facts

What buyers check first

All properties
CAS number
70028-76-1
Formula
C30H40O7
Molar mass
512.64 g/mol
HS code
291619
Category
Esters and lactones

What is Pedilstatin?

Plain description, key identifiers and synonyms

Pedilstatin is a phorbol ester that is 4-deoxyphorbol in which the hydroxy groups at positions 12 and 13 have been replaced by octa-2,4-dienoyloxy and acetyloxy groups respectively. It has a role as a plant metabolite. It is a primary allylic alcohol, a phorbol ester and an acetate ester.

Identifiers

Registry numbers, names and line notations, tap to copy

IUPAC name
[(1R,2R,6R,10S,11R,13S,14R,15R)-13-acetyloxy-1-hydroxy-8-(hydroxymethyl)-4,12,12,15-tetramethyl-5-oxo-14-tetracyclo[8.5.0.02,6.011,13]pentadeca-3,8-dienyl] (2Z,4E)-octa-2,4-dienoate
CAS number
70028-76-1
Molecular formula
C30H40O7
InChIKey
ALKHEZOKTHCOBM-GTBZSHDQSA-N
InChI
InChI=1S/C30H40O7/c1-7-8-9-10-11-12-24(33)36-27-18(3)29(35)22-13-17(2)25(34)21(22)14-20(16-31)15-23(29)26-28(5,6)30(26,27)37-19(4)32/h9-13,15,18,21-23,26-27,31,35H,7-8,14,16H2,1-6H3/b10-9+,12-11-/t18-,21-,22-,23+,26-,27-,29+,30-/m1/s1
Canonical SMILES
CCCC=CC=CC(=O)OC1C(C)C2(O)C3C=C(C)C(=O)C3CC(CO)=CC2C2C(C)(C)C12OC(C)=O
Isomeric SMILES
CCC/C=C/C=C\C(=O)O[C@@H]1[C@H]([C@@]2([C@@H]3C=C(C(=O)[C@@H]3CC(=C[C@H]2[C@H]4[C@@]1(C4(C)C)OC(=O)C)CO)C)O)C

Synonyms

  • 13-O-Acetyl-12-O-(2'Z,4'E-octadienoyl)-4alpha-deoxyphorbol
  • 4-deoxy-4alpha-phorbol 13-acetate 12-(2Z,4E)-octa-2,4-dienoate
  • 12-O-2Z,4E-Octadienoyl-4-deoxyphorbol 13-acetate
  • 13-O-Acetyl-12-O-(Z,E)-2,4-octadienoyl-4-desoxyphorbol
  • 12-O-2Z,4E-Octadienoyl-4-deoxyphorbol 13-acetate, 4-deoxy-4alpha-phorbol 13-acetate 12-(2Z,4E)-octa-2,4-dienoate

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
512.64 g/molcalc.
Exact mass
512.2774 Dacalc.
LogP (octanol/water)
3.85calc.
Topological polar surface area
110.1 Ųcalc.
Hydrogen bond donors
2calc.
Hydrogen bond acceptors
7calc.
Rotatable bonds
7calc.
Heavy atoms
37calc.
Rings
4calc.
Aromatic rings
0calc.
Fraction sp3 carbons
0.63calc.
Formal charge
0calc.
Stereocentres
8calc.
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=CC2C1CC=CC1C3CC3CCC21

O=C1C=CC2C1CC=CC1C3CC3CCC21

4 rings, 16 atoms.

136 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.

Pedilstatin suppliers

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Pedilstatin 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

Roles

  • eukaryotic metabolite
  • metabolite
  • plant metabolite

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 Pedilstatin is traded under.

HS 2916.19Indicative HS code

Unsaturated acyclic monocarboxylic acids, their anhydrides, halides, peroxides…

World exports in 2024
$674M
−9.6% vs 2023, imports $722M
2019 to 2024
Top exporters
  1. China44.5%
  2. Germany15.3%
  3. India * partner reported11.5%
Top importers
  1. United States17.1%
  2. Netherlands7.8%
  3. South Korea7.0%

* Partner reported figures, a lower bound.

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

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

Frequently asked questions

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

What is Pedilstatin?

Pedilstatin is a phorbol ester that is 4-deoxyphorbol in which the hydroxy groups at positions 12 and 13 have been replaced by octa-2,4-dienoyloxy and acetyloxy groups respectively. It has a role as a plant metabolite. It is a primary allylic alcohol, a phorbol ester and an acetate ester.

What is the CAS number of Pedilstatin?

The CAS registry number of Pedilstatin is 70028-76-1.

What is the molecular formula and weight of Pedilstatin?

The molecular formula of Pedilstatin is C30H40O7 and its molar mass is 512.64 g/mol.

What is Pedilstatin used for?

Known uses and roles of Pedilstatin include cooling agents in flavors and fragrances, eukaryotic metabolite, metabolite and plant metabolite.

Is Pedilstatin hazardous?

No GHS hazard classification for Pedilstatin 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 Pedilstatin?

Pedilstatin is usually classified under HS code 291619 (Unsaturated acyclic monocarboxylic acids, their anhydrides, halides, peroxides…). This is indicative, confirm it with your customs broker before shipping.

Where can I buy Pedilstatin?

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

What is the price of Pedilstatin?

Suppliers quote Pedilstatin 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 Pedilstatin

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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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