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Screening compounds

Pristimerin

Also known as Celastrol methyl ester, methyl (2R,4aS,6aR,6aS,14aS,14bR)-10-hydroxy-2,4a,6a,6a,9,14a-hexamethyl-11-oxo-1,3,4,5,6,13,14,14b-octahydropicene-2-carboxylate, 3-hydroxy-24-nor-2-oxo-1(10),3,5,7-friedelatetraen-29-oic acid methyl ester

CAS 1258-84-0Formula C30H40O4Molar mass 464.65 g/mol
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Pristimerin chemical structure, C30H40O4, CAS 1258-84-0
2D chemical structure

Key facts

What buyers check first

All properties
CAS number
1258-84-0
Formula
C30H40O4
Molar mass
464.65 g/mol
HS code
291830
Category
Screening compounds

What is Pristimerin?

Plain description, key identifiers and synonyms

Pristimerin is a carboxylic ester.

Identifiers

Registry numbers, names and line notations, tap to copy

IUPAC name
methyl (2R,4aS,6aR,6aS,14aS,14bR)-10-hydroxy-2,4a,6a,6a,9,14a-hexamethyl-11-oxo-1,3,4,5,6,13,14,14b-octahydropicene-2-carboxylate
CAS number
1258-84-0 CAS number cross-checked
Molecular formula
C30H40O4
UNII
28ZK7PR57S
MDL number
MFCD01711331
InChIKey
JFACETXYABVHFD-WXPPGMDDSA-N
InChI
InChI=1S/C30H40O4/c1-18-19-8-9-22-28(4,20(19)16-21(31)24(18)32)13-15-30(6)23-17-27(3,25(33)34-7)11-10-26(23,2)12-14-29(22,30)5/h8-9,16,23,32H,10-15,17H2,1-7H3/t23-,26-,27-,28+,29-,30+/m1/s1
Canonical SMILES
COC(=O)C1(C)CCC2(C)CCC3(C)C4=CC=C5C(=CC(=O)C(O)=C5C)C4(C)CCC3(C)C2C1
Isomeric SMILES
CC1=C(C(=O)C=C2C1=CC=C3[C@]2(CC[C@@]4([C@@]3(CC[C@@]5([C@H]4C[C@](CC5)(C)C(=O)OC)C)C)C)C)O

Synonyms

  • Celastrol methyl ester
  • methyl (2R,4aS,6aR,6aS,14aS,14bR)-10-hydroxy-2,4a,6a,6a,9,14a-hexamethyl-11-oxo-1,3,4,5,6,13,14,14b-octahydropicene-2-carboxylate
  • 3-hydroxy-24-nor-2-oxo-1(10),3,5,7-friedelatetraen-29-oic acid methyl ester
  • (9 beta,13 alpha,14 beta, 20 alpha)-3-hydroxy-9,13-dimethyl-2-oxo-24,25,26-trinoroleana-1(10),3,5,7-tetraen-29-oic acid
  • 24,25,26-trinoroleana-1(10),3,5,7-tetraen-29-oic acid, 3-hydroxy-9,13-dimethyl-2-oxo-, methyl ester, (9beta,13alpha,14beta,20alpha)-
  • Celastrol-methylether
  • methyl (2R,4aS,6aS,12bR,14aS,14bR)-10-hydroxy-2,4a,6a,9,12b,14a-hexamethyl-11-oxo-1,2,3,4,4a,5,6,6a,11,12b,13,14,14a,14b-tetradecahydropicene-2-carboxylate
  • 3-Hydroxy-2-oxo-24-nor-D:A-friedoolean-1(10),3,5,7-tetren-29-oic acid methyl ester
  • Pristimerine
  • methyl 10-hydroxy-2,4a,6a,6a,9,14a-hexamethyl-11-oxo-1,3,4,5,6,13,14,14b-octahydropicene-2-carboxylate
  • Pristimerin (Standard)
  • 24-Nor-D:A-friedooleana-1(10),3,5,7-tetraen-29-oic acid, 3-hydroxy-2-oxo-, methyl ester
  • Pristimerin(NSC 99281)
  • DivK1c_006745
  • ACon0_000836
  • Sdccgmls-0066814.p001
  • (9b,13a,14b,20a)-3-Hydroxy-9,13-dimethyl-2-oxo-24,25,26-trinoroleana-1(10),3,5,7-tertraen-29-oic acid methyl ester
  • D:A-Friedo-24-noroleana-1(10),3,5,7-tetraen-29-oic acid, 3-hydroxy-2-oxo-, methyl ester, (20alpha)-
  • (9beta,13alpha,14beta,20.alpha.)-3-hydroxy-9,13-dimethyl-2-oxo-24,25,26-trinoroleana-1(10),3,5,7-tetraen-29-oic acid
  • (9beta,13alpha,14beta,20alpha)-3-Hydroxy-9,13-dimethyl-2-oxo-24,25,26-trinoroleana-1(10),3,5,7-tetraen-29-oicacidmethylester
  • 24,25,26-Trinoroleana-1(10),3,5,7-tetraen-29-oic acid, 3-hydroxy-9,13-dimethyl-2-oxo-, methyl ester, (9beta,13alpha,14beta,20.alpha.)-
  • 3-hydroxy-9beta,13alpha-dimethyl-2-oxo-24,25,26-trinoroleana-1(10),3,5,7-tetraen-29-oic acid, methyl ester
  • methyl rac-(2R,4aS,6aR,6aS,14aS,14bR)-10-hydroxy-2,4a,6a,6a,9,14a-hexamethyl-11-oxo-1,3,4,5,6,13,14,14b-octahydropicene-2-carboxylate

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
464.65 g/molcalc.
Exact mass
464.2927 Dacalc.
LogP (octanol/water)
6.79calc.
Topological polar surface area
63.6 Ųcalc.
Hydrogen bond donors
1calc.
Hydrogen bond acceptors
4calc.
Rotatable bonds
1calc.
Heavy atoms
34calc.
Rings
5calc.
Aromatic rings
0calc.
Fraction sp3 carbons
0.67calc.
Formal charge
0calc.
Stereocentres
6calc.
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=CC2=CC=C3C(CCC4C3CCC3CCCCC34)C2=C1

O=C1C=CC2=CC=C3C(CCC4C3CCC3CCCCC34)C2=C1

5 rings, 23 atoms.

5 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.

Pristimerin suppliers

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All 3 suppliers

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Where suppliers are based

3 suppliers in 1 country

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Pristimerin 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 Pristimerin is traded under.

HS 2918.30Indicative HS code

Carboxylic acids with aldehyde or ketone function but without other oxygen function…

World exports in 2024
$813M
−39.8% vs 2023, imports $1.23B
2019 to 2024
Top exporters
  1. China43.3%
  2. India * partner reported10.4%
  3. United States6.8%
Top importers
  1. Singapore33.1%
  2. Germany7.2%
  3. Japan6.9%

* Partner reported figures, a lower bound.

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

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

Frequently asked questions

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

What is Pristimerin?

Pristimerin is a carboxylic ester.

What is the CAS number of Pristimerin?

The CAS registry number of Pristimerin is 1258-84-0.

What is the molecular formula and weight of Pristimerin?

The molecular formula of Pristimerin is C30H40O4 and its molar mass is 464.65 g/mol.

What is Pristimerin used for?

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

Is Pristimerin hazardous?

No GHS hazard classification for Pristimerin 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 Pristimerin?

Pristimerin is usually classified under HS code 291830 (Carboxylic acids with aldehyde or ketone function but without other oxygen function…). This is indicative, confirm it with your customs broker before shipping.

Where can I buy Pristimerin?

CompoundList lists 3 suppliers of Pristimerin in China. Send one free request to get and compare quotes. Your contact details stay private until you accept a quote.

What is the price of Pristimerin?

Suppliers quote Pristimerin 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 Pristimerin

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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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