Taraxasteryl acetate - ≥98% , CAS No.6426-43-3

CAS: 6426-43-3 Cat. No.: T412624 Formule: C₃₂H₅₂O₂ Poids moléculaire: 468.8 PubChem CID: 13889352

GRADE & PURITY ≥98%

Synonyms

SCHEMBL23929098 | AKOS037514855 | HY-N2478 | SAUSSUROL ACETATE | LACTUCEROL ACETATE | UNII-9F07Z33516 | NSC 401400 | TARAXASTEROL ACETATE [MI] | (.BETA.,18.ALPHA.,19.ALPHA.)-URS-20(30)-EN-3-OL, ACETATE | Taraxasterol acetate | TARAXASTEROL, ACETATE | [(3S

Storage

Protected from light,Store at -20°C

Shipped In

Ice chest + Ice pads

Vue d’ensemble

Taraxasteryl acetate is isolated from P. sagittalis,and has a broad spectrum of anti-inflammatory activity. Taraxasteryl acetate relieves dextran, zymosan and arachidonic acid induced rat hind-paw edema. Taraxasteryl acetate can be used for the topical inflammation treatment.

Specifications

Synonymes

SCHEMBL23929098 | AKOS037514855 | HY-N2478 | SAUSSUROL ACETATE | LACTUCEROL ACETATE | UNII-9F07Z33516 | NSC 401400 | TARAXASTEROL ACETATE [MI] | (.BETA.,18.ALPHA.,19.ALPHA.)-URS-20(30)-EN-3-OL, ACETATE | Taraxasterol acetate | TARAXASTEROL, ACETATE | [(3S

Spécifications et pureté

≥98%

Mécanismes biochimiques et physiologiques

Taraxasteryl acetate has a broad spectrum of anti-inflammatory activity and can be used for the topical inflammation treatment. Taraxasteryl acetate is isolated from P. sagittalis.

Conditions de stockage de stockage

Protected from light,Store at -20°C

Expédié en

Ice chest + Ice pads

Ce produit nécessite l'expédition en chaîne froide. Les services terrestres et autres services économiques ne sont pas disponibles.

Pureté

≥98%

Noms et identifiants

Pubchem Sid

528769485

Sourires canoniques

CC1C2C3CCC4C5(CCC(C(C5CCC4(C3(CCC2(CCC1=C)C)C)C)(C)C)OC(=O)C)C

IUPAC Name

[(3S,4aR,6aR,6aR,6bR,8aR,12S,12aR,14aR,14bR)-4,4,6a,6b,8a,12,14b-heptamethyl-11-methylidene-1,2,3,4a,5,6,6a,7,8,9,10,12,12a,13,14,14a-hexadecahydropicen-3-yl] acetate

InChIKey

SFEUTIOWNUGQMZ-ZHLOSDGBSA-N

INCHI

1S/C32H52O2/c1-20-12-15-29(6)18-19-31(8)23(27(29)21(20)2)10-11-25-30(7)16-14-26(34-22(3)33)28(4,5)24(30)13-17-32(25,31)9/h21,23-27H,1,10-19H2,2-9H3/t21-,23-,24+,25-,26+,27-,29-,30+,31-,32-/m1/s1

Isomères SMILES

C[C@H]1[C@@H]2[C@H]3CC[C@@H]4[C@]5(CC[C@@H](C([C@@H]5CC[C@]4([C@@]3(CC[C@]2(CCC1=C)C)C)C)(C)C)OC(=O)C)C

PubChem CID

13889352

Poids moléculaire

468.8

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Lipids and lipid-like molecules
    • Classe Prenol lipids
      • Subclass Triterpenoids

• Kingdom: Organic compounds
• Superclass: Lipids and lipid-like molecules
• Classe: Prenol lipids
• Subclass: Triterpenoids
• Intermediate Tree Nodes: Not available
• Direct Parent: Triterpenoids
• Alternative Parents: Carboxylic acid esters Monocarboxylic acids and derivatives Organic oxides Hydrocarbon derivatives Carbonyl compounds
• Molecular Framework: Aliphatic homopolycyclic compounds
• Substituents: Triterpenoid - Carboxylic acid ester - Monocarboxylic acid or derivatives - Carboxylic acid derivative - Organic oxygen compound - Organic oxide - Hydrocarbon derivative - Organooxygen compound - Carbonyl group - Aliphatic homopolycyclic compound
• Description: This compound belongs to the class of organic compounds known as triterpenoids. These are terpene molecules containing six isoprene units.
• External Descriptors: triterpenoid

Data sources

1. Djoumbou Feunang Y, Eisner R, Knox C, Chepelev L, Hastings J, Owen G, Fahy E, Steinbeck C, Subramanian S, Bolton E, Greiner R, and Wishart DS. ClassyFire: Automated Chemical Classification With A Comprehensive, Computable Taxonomy. Journal of Cheminformatics, 2016, 8:61.

DOI: 10.1186/s13321-016-0174-y

Mécanismes d'action

Propriétés chimiques et physiques

• Sensibilité: Light sensitive
• Poids moléculaire: 468.800 g/mol
• XLogP3: 9.700
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 2
• Exact Mass: 468.397 Da
• Monoisotopic Mass: 468.397 Da
• Topological Polar Surface Area: 26.300 Ų
• Heavy Atom Count: 34
• Formal Charge: 0
• Complexity: 872.000
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 10
• Undefined Atom Stereocenter Count: 0
• Defined Bond Stereocenter Count: 0
• Undefined Bond Stereocenter Count: 0
• The total count of all stereochemical bonds: 0
• Covalently-Bonded Unit Count: 1