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6812-81-3

6812-81-3 structure
6812-81-3 structure
  • Name: Roburic Acid
  • Chemical Name: roburic acid
  • CAS Number: 6812-81-3
  • Molecular Formula: C30H48O2
  • Molecular Weight: 440.701
  • Catalog: Biochemical Plant extracts
  • Create Date: 2018-06-13 21:07:16
  • Modify Date: 2024-01-11 12:55:07
  • Roburic acid, a tetracyclic triterpenoid found in Gentiana macrophylla, acts as an inhibitor of COX, with IC50s of 5 and 9 μM for COX-1 and COX-2, respectively[1].

Name roburic acid
Synonyms 1-chrysenepropanoic acid, 1,2,3,4,4a,4b,5,6,6a,7,8,9,10,10a,12,12a-hexadecahydro-1,4a,4b,6a,9,10-hexamethyl-2-(1-methylethenyl)-, (1S,2S,4aR,4bS,6aR,9R,10S,10aR,12aR)-
3-[(1S,2S,4aR,4bS,6aR,9R,10S,10aR,12aR)-1,4a,4b,6a,9,10-Hexamethyl-2-(prop-1-en-2-yl)-1,2,3,4,4a,4b,5,6,6a,7,8,9,10,10a,12,12a-hexadecahydrochrysen-1-yl]propanoic acid
Roburinsaeure
3-[(1S,2S,4aR,4bS,6aR,9R,10S,10aR,12aR)-2-Isopropenyl-1,4a,4b,6a,9,10-hexamethyl-1,2,3,4,4a,4b,5,6,6a,7,8,9,10,10a,12,12a-hexadecahydro-1-chrysenyl]propanoic acid
Roburic Acid
Robursaeure
Description Roburic acid, a tetracyclic triterpenoid found in Gentiana macrophylla, acts as an inhibitor of COX, with IC50s of 5 and 9 μM for COX-1 and COX-2, respectively[1].
Related Catalog
Target

COX-1:5 μM (IC50)

COX-2:9 μM (IC50)

References

[1]. Cao H, et al. Discovery of cyclooxygenase inhibitors from medicinal plants used to treat inflammation. Pharmacol Res. 2010 Jun;61(6):519-24.

Density 1.0±0.1 g/cm3
Boiling Point 528.5±49.0 °C at 760 mmHg
Molecular Formula C30H48O2
Molecular Weight 440.701
Flash Point 424.9±25.0 °C
Exact Mass 440.365417
PSA 37.30000
LogP 11.09
Vapour Pressure 0.0±3.0 mmHg at 25°C
Index of Refraction 1.532
Safety Phrases 24/25

~%

6812-81-3 structure

6812-81-3

Literature: Gazzetta Chimica Italiana, , vol. 94, p. 382 - 392