Structure via PubChem · Public domain (PubChem)
齐墩果醇酸
Sign in to saveAlso known as Giganteumgenin C, Virgaureagenin B, Caryophyllin, Astrantiagenin C, Oleanic acid, Olean-12-en-28-oic acid, 3-hydroxy-, (3-beta)-, 3beta-Hydroxyolean-12-en-28-oic acid, 3-beta-Hydroxyolean-12-en-28-oate
一种天然五环三萜物质
Chemical data
- Formula
- C30H48O3
- Molecular weight
- 456.7 g/mol
- IUPAC name
- (4aS,6aR,6aS,6bR,8aR,10S,12aR,14bS)-10-hydroxy-2,2,6a,6b,9,9,12a-heptamethyl-1,3,4,5,6,6a,7,8,8a,10,11,12,13,14b-tetradecahydropicene-4a-carboxylic acid
- SMILES
- C[C@]12CC[C@@H](C([C@@H]1CC[C@@]3([C@@H]2CC=C4[C@]3(CC[C@@]5([C@H]4CC(CC5)(C)C)C(=O)O)C)C)(C)C)O
- InChIKey
- MIJYXULNPSFWEK-GTOFXWBISA-N
- XLogP
- 7.5
- Polar surface area
- 57.5 Ų
- H-bond donors
- 2
- H-bond acceptors
- 3
- Formal charge
- 0
via PubChem
Drug data · ChEMBL
- Molecule type
- Small molecule
via ChEMBL · EBI
Research
6,806 papers- Oleanolic acid.Phytochemistry · 2012
- Oleanolic Acid: Extraction, Characterization and Biological Activity.Nutrients · 2022
- Oleanolic acid derivatives for pharmaceutical use: a patent review.Expert opinion on therapeutic patents · 2016
- Oleanolic acid and ursolic acid: therapeutic potential in neurodegenerative diseases, neuropsychiatric diseases and other brain disorders.Nutritional neuroscience · 2023
- Development and Evaluation of Oleanolic Acid Dosage Forms and Its Derivatives.BioMed research international · 2020
via PubMed
Wikidata facts
- Mass
- 456.360345
Show 5 more facts
- found in taxon
- Aspergillus
- chemical formula
- C₃₀H₄₈O₃
- canonical SMILES
- CC1(CCC2(CCC3(C(=CCC4C3(CCC5C4(CCC(C5(C)C)O)C)C)C2C1)C)C(=O)O)C
- isomeric SMILES
- C[C@]12CC[C@@H](C([C@@H]1CC[C@@]3([C@@H]2CC=C4[C@]3(CC[C@@]5([C@H]4CC(CC5)(C)C)C(=O)O)C)C)(C)C)O
- Commons category
- Oleanolic acid
via Wikidata · CC0
Article · 中文
齐墩果酸（英語：Oleanolic acid或oleanic acid）是一种天然的五环三萜物质，带有齐墩果烷的骨架，其羟基位置与羧基位置与熊果酸、白桦脂酸上的羟基与羧基位置类似。齐墩果酸以游离酸或三萜皂苷的糖苷配基形式存在于许多植物与食品中。
Abstract from DBpedia / Wikipedia · CC BY-SA