Lantic acid
Basic information
- CAS
22626-26-2- Standard SMILES
C[C@H]1[C@H](C)CC[C@]2(C(=O)O)CC[C@]3(C)C(=CC[C@@H]4C56CC[C@@](O)(OC5)C(C)(C)[C@@H]6CC[C@]43C)[C@H]12- InChIKey
WFSVWMKYCNCEAW-AAPRJYRRSA-N- Molecular formula
- C30H46O4
- Average molar mass
- 470.7 g/mol
- Monoisotopic mass
- 470.33960994
Overview
3-Hydroxy-3,25-epoxyurs-12-en-28-oic acid has been reported in Lantana strigocamara with data available.
Names & identifiers
- Preferred name
- Lantic acid
- IUPAC
- (2S,6S,7S,8R,11S,14S,15R,18R,20R)-20-hydroxy-7,8,14,15,19,19-hexamethyl-21-oxahexacyclo[18.2.2.01,18.02,15.05,14.06,11]tetracos-4-ene-11-carboxylic acid
- English name
- 3β,25-Epoxy-3-hydroxyurs-12-en-28-oic acid
- Molecular formula
- C30H46O4
- Molecular weight
- 470.69
Names & synonyms
Lantic acid22626-26-2(2S,6S,7S,8R,11S,14S,15R,18R,20R)-20-hydroxy-7,8,14,15,19,19-hexamethyl-21-oxahexacyclo[18.2.2.01,18.02,15.05,14.06,11]tetracos-4-ene-11-carboxylic acidUrs-12-en-28-oic acid, 3beta,25-epoxy-3-hydroxy-(1S,2S,6S,7S,8R,11S,14S,15R,18R,20S)-20-Hydroxy-7,8,14,15,19,19-hexamethyl-21-oxahexacyclo(18.2.2.0,.0,.0,.0,)tetracos-4-ene-11-carboxylate(1S,2S,6S,7S,8R,11S,14S,15R,18R,20S)-20-Hydroxy-7,8,14,15,19,19-hexamethyl-21-oxahexacyclo[18.2.2.0,.0,.0,.0,]tetracos-4-ene-11-carboxylate(2S,6S,7S,8R,11S,14S,15R,18R,20R)-20-hydroxy-7,8,14,15,19,19-hexamethyl-21-oxahexacyclo(18.2.2.01,18.02,15.05,14.06,11)tetracos-4-ene-11-carboxylic acidRefChem:152339DTXSID409452843-Hydroxy-3,25-epoxyurs-12-en-28-oic acid(10xi)-3alpha-Hydroxy-3,25-epoxyurs-12-en-28-oic acid3β,25-Epoxy-3-hydroxyurs-12-en-28-oic acid
Show more names
Urs-12-en-28-oic acid, 3,25-epoxy-3-hydroxy-, (3β)- (9CI)
Properties
Computed structural properties
- XLogP
- 6.3
- Topological polar surface area
- 66.8 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 1
- Heavy atoms
- 34
- Formal charge
- 0
- Complexity
- 953
Physicochemical properties
- Boiling point
- 586.4 · 586.4±50.0 °C(Predicted)
- Density
- 1.16 · 1.16±0.1 g/cm3(Predicted)
- pka
- 4.67 · 4.67±0.70(Predicted)
Chemistry & industry
Applications
UsesLantic acid is a triterpenoid compound possessing antimicrobial activity. Lantic acid exhibits inhibitory effects on a broad range of both Gram-positive and Gram-negative bacteria, with particular potency against Escherichia coli and Bacillus subtilis. Lantic acid is utilized in the research and development of antimicrobial agents[1].
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