CAS 220880-90-0|2,3-O-Isopropylidenyl euscaphic acid

Introduction:Basic information about CAS 220880-90-0|2,3-O-Isopropylidenyl euscaphic acid, including its chemical name, molecular formula, synonyms, physicochemical properties, and safety information, etc.
Common Name2,3-O-Isopropylidenyl euscaphic acid
CAS Number220880-90-0Molecular Weight528.763
Density1.2±0.1 g/cm3Boiling Point606.1±55.0 °C at 760 mmHg
Molecular FormulaC33H52O5Melting Point/
MSDS/Flash Point184.6±25.0 °C

Names

Name1-hydroxy-1,2,6a,6b,9,9,11,11,13a-nonamethyl-1,3,4,5,6,6a,6b,7,8,8a,9,9a,12a,13,13a,13b,14,15b-octadecahydropiceno[2,3-d][1,3]dioxole-4a(2H)-carboxylic acid
SynonymMore Synonyms

2,3-O-Isopropylidenyl euscaphic acid BiologicalActivity

Description2,3-O-Isopropylidenyl euscaphic acid, a triterpenoid from the seeds of blackberry (Rubus fructicosus), exhibits cytotoxic activity towards HL-60 human leukaemia cells with IC50 value of 72.8 μM[1].
Related CatalogResearch Areas >>CancerSignaling Pathways >>Others >>Others
References

[1]. Masateru Ono, et al. Two new triterpenoids from the seeds of blackberry (Rubus fructicosus). Nat Prod Res. 2016;30(8):904-11.

Chemical & Physical Properties

Density1.2±0.1 g/cm3
Boiling Point606.1±55.0 °C at 760 mmHg
Molecular FormulaC33H52O5
Molecular Weight528.763
Flash Point184.6±25.0 °C
Exact Mass528.381470
PSA75.99000
LogP7.91
Vapour Pressure0.0±3.9 mmHg at 25°C
Index of Refraction1.564
InChIKeyUKGZFGGRLJUNFM-ZMDBWSNTSA-N
SMILESCC1CCC2(C(=O)O)CCC3(C)C(=CCC4C5(C)CC6OC(C)(C)OC6C(C)(C)C5CCC43C)C2C1(C)O

Safety Information

Hazard CodesXi

Synonyms

Piceno[2,3-d][1,3]dioxole-4a(2H)-carboxylic acid, 1,3,4,5,6,6a,6b,7,8,8a,9,9a,12a,13,13a,13b,14,15b-octadecahydro-1-hydroxy-1,2,6a,6b,9,9,11,11,13a-nonamethyl-, (1R,2R,4aS,6aS,6bR,8aR,9aS,12aR,13aR,13bR,15bS)-
(1R,2R,4aS,6aS,6bR,8aR,9aS,12aR,13aR,13bR,15bS)-1-Hydroxy-1,2,6a,6b,9,9,11,11,13a-nonamethyl-1,3,4,5,6,6a,6b,7,8,8a,9,9a,12a,13,13a,13b,14,15b-octadecahydropiceno[2,3-d][1,3]dioxole-4a(2H)-carboxylic acid
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