Product Name

  • Name

    pristimerin

  • EINECS
  • CAS No. 1258-84-0
  • Article Data16
  • CAS DataBase
  • Density 1.16g/cm3
  • Solubility
  • Melting Point 219.5°C
  • Formula C30H40 O4
  • Boiling Point 607.7°Cat760mmHg
  • Molecular Weight 464.645
  • Flash Point 195.1°C
  • Transport Information
  • Appearance
  • Safety Poison by subcutaneous and intraperitoneal routes. Mildly toxic by ingestion. When heated to decomposition it emits acrid smoke and irritating fumes. See also ETHERS.
  • Risk Codes
  • Molecular Structure Molecular Structure of 1258-84-0 (pristimerin)
  • Hazard Symbols
  • Synonyms 24-Nor-D:A-friedooleana-1(10),3,5,7-tetraen-29-oicacid, 3-hydroxy-2-oxo-, methyl ester (8CI);D:A-Friedo-24-noroleana-1(10),3,5,7-tetraen-29-oic acid, 3-hydroxy-2-oxo-,methyl ester, (20a)-;Pristimerin (7CI); 2-Picenecarboxylic acid,1,2,3,4,4a,5,6,6a,11,12b,13,14,14a,14b-tetradecahydro-10-hydroxy-2,4a,6a,9,12b,14a-hexamethyl-11-oxo-,methyl ester, (2R,4aS,6aS,12bR,14aS,14bR)-; 2-Picenecarboxylic acid,1,2,3,4,4a,5,6,6a,11,12b,13,14,14a,14b-tetradecahydro-10-hydroxy-2,4a,6a,9,12b,14a-hexamethyl-11-oxo-,methyl ester, [2R-(2a,4ab,6ab,12bb,14aa,14bb)]-; Celastrol, methyl ester; NSC 99281
  • PSA 63.60000
  • LogP 6.78610

Pristimerin Chemical Properties

Product Name: Pristimerin (CAS NO.1258-84-0)


Molecular Formula: C30H40O4
Molecular Weight: 464.70g/mol
Mol File: 1258-84-0.mol
Boiling point: 607.7 °C at 760 mmHg
Flash Point: 195.1 °C
Density: 1.16 g/cm3
Surface Tension: 47.4 dyne/cm
Enthalpy of Vaporization: 103.58 kJ/mol
Vapour Pressure: 2.63E-17 mmHg at 25°C
XLogP3-AA: 6.3
H-Bond Donor: 1
H-Bond Acceptor: 4
Structure Descriptors of Pristimerin (CAS NO.1258-84-0):
  IUPAC Name: methyl(2R,4aS,6aS,6aR,14aS,14bR)-10-hydroxy-2,4a,6a,6a,9,14a-hexamethyl-11-oxo-1,3,4,5,6,13,14,14b-octahydropicene-2-carboxylate
  Canonical SMILES: CC1=C(C(=O)C=C2C1=CC=C3C2(CCC4(C3(CCC5(C4CC(CC5)(C)C(=O)OC)C)C)C)C)O
  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
  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 
  InChIKey: JFACETXYABVHFD-WXPPGMDDSA-N

Pristimerin Toxicity Data With Reference

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intraperitoneal 200mg/kg (200mg/kg)   "CRC Handbook of Antibiotic Compounds," Vols.1- , Berdy, J., Boca Raton, FL, CRC Press, 1980Vol. 8(1), Pg. 90, 1982.
mouse LD50 oral 8gm/kg (8000mg/kg)   "CRC Handbook of Antibiotic Compounds," Vols.1- , Berdy, J., Boca Raton, FL, CRC Press, 1980Vol. 8(1), Pg. 90, 1982.
mouse LD50 subcutaneous 400mg/kg (400mg/kg)   "CRC Handbook of Antibiotic Compounds," Vols.1- , Berdy, J., Boca Raton, FL, CRC Press, 1980Vol. 8(1), Pg. 90, 1982.

Pristimerin Safety Profile

Poison by subcutaneous and intraperitoneal routes. Mildly toxic by ingestion. When heated to decomposition it emits acrid smoke and irritating fumes. See also ETHERS.

Pristimerin Specification

 Pristimerin ,its CAS NO. is 1258-84-0,the synonyms is Celastrol-methylether ; 24-Nor-D:A-friedooleana-1(10),3,5,7-tetraen-29-oic acid, 3-hydroxy-2-oxo-, methyl ester ; D:A-Friedo-24-noroleana-1(10),3,5,7-tetraen-29-oic acid, 3-hydroxy-2-oxo-, methyl ester, (20alpha)- (9CI) .

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