Betulin 3-caffeate

Modify Date: 2026-07-08 17:56:15

Betulin 3-caffeate Structure
Betulin 3-caffeate structure
Common Name Betulin 3-caffeate
CAS Number 89130-86-9 Molecular Weight 604.86
Density 1.1±0.1 g/cm3 Boiling Point 689.8±45.0 °C at 760 mmHg
Molecular Formula C39H56O5 Melting Point N/A
MSDS N/A Flash Point 205.2±22.2 °C

 Use of Betulin 3-caffeate


Betulin caffeate (Betulin-3β-caffeate) is a triterpene caffeate compound[1].

 Names

Name Betulin caffeate
Synonym More Synonyms

 Betulin 3-caffeate Biological Activity

Description Betulin caffeate (Betulin-3β-caffeate) is a triterpene caffeate compound[1].
Related Catalog
References

[1]. P. SARKAR, et al. Phytochemical Studies on the Stem Bark of Couroupita guianensis Aubl. Asian Journal of Chemistry; Vol. 25, No. 8 (2013), 4559-4562.

 Chemical & Physical Properties

Density 1.1±0.1 g/cm3
Boiling Point 689.8±45.0 °C at 760 mmHg
Molecular Formula C39H56O5
Molecular Weight 604.86
Flash Point 205.2±22.2 °C
Exact Mass 604.412781
PSA 86.99000
LogP 10.92
Vapour Pressure 0.0±2.3 mmHg at 25°C
Index of Refraction 1.571
InChIKey VOQSZICWRNPAMF-IUGYEWCASA-N
SMILES C=C(C)C1CCC2(CO)CCC3(C)C(CCC4C5(C)CCC(OC(=O)C=Cc6ccc(O)c(O)c6)C(C)(C)C5CCC43C)C12

 Safety Information

Hazard Codes Xi

 Betulin 3-caffeateBioassay

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Name: Inhibition of HBV subgenotype D3 [3H]-myr-preS1 (2 to 48 residues) peptide binding to...
Source: ChEMBL
Target: Hepatic sodium/bile acid cotransporter
External Id: CHEMBL5152412
Name: Selectivity index, ratio of IC50 for inhibition of human NTCP mediated TCA uptake in ...
Source: ChEMBL
Target: N/A
External Id: CHEMBL5152413
Name: Antiviral activity against HIV1 NL4.3-Ren infected in human MT2 cells assessed as inh...
Source: ChEMBL
Target: Human immunodeficiency virus 1
External Id: CHEMBL3584165
Name: HIV Cellular Data
Source: NIAID
Target: N/A
External Id: HIV Cellular Data
Name: Antibacterial activity against Enterococcus faecalis CECT 795 up to 40 ug/mL by broth...
Source: ChEMBL
Target: Enterococcus faecalis
External Id: CHEMBL1002770
Name: Antibacterial activity against Bacillus subtilis CECT 39 up to 40 ug/mL by broth micr...
Source: ChEMBL
Target: Bacillus subtilis
External Id: CHEMBL1002771
Name: Antibacterial activity against Staphylococcus epidermidis CECT 232 up to 40 ug/mL by ...
Source: ChEMBL
Target: Staphylococcus epidermidis
External Id: CHEMBL1002768
Name: Antibacterial activity against Staphylococcus saprophyticus CECT 235 up to 40 ug/mL b...
Source: ChEMBL
Target: Staphylococcus saprophyticus
External Id: CHEMBL1002769
Name: Antibacterial activity against Staphylococcus aureus ATCC 6538 up to 40 ug/mL by brot...
Source: ChEMBL
Target: Staphylococcus aureus
External Id: CHEMBL1002767
Name: Antibacterial activity against Salmonella sp. CECT 456 up to 40 ug/mL by broth microd...
Source: ChEMBL
Target: Salmonella
External Id: CHEMBL1003492
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 Synonyms

(3β)-28-Hydroxylup-20(29)-en-3-yl (2E)-3-(3,4-dihydroxyphenyl)acrylate
Betulin 3-caffeate
(3β)-3-Hydroxylup-20(29)-en-28-yl (2E)-3-(3,4-dihydroxyphenyl)acrylate
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