Basic information
- CAS
53155-25-2- Standard SMILES
C[C@@H]1CC[C@]2(C(=O)O)CC[C@]3(C)C(=CC[C@@H]4[C@@]5(C)C[C@@H](O)[C@@H](O)C(C)(C)C5CC[C@]43C)[C@H]2[C@]1(C)O- InChIKey
OXVUXGFZHDKYLS-SPQMEPECSA-N- Molecular formula
- C30H48O5
- Average molar mass
- 488.7 g/mol
- Monoisotopic mass
- 488.35017463
Overview
Jacarandic acid has been reported in Ovatus malisuctus, Sanguisorba tenuifolia var. alba, and other organisms with data available.
Names & identifiers
- Preferred name
- 2alpha,3alpha,19 alpha-Trihydroxyurs-12-en-28-oic acid
- IUPAC
- (1R,2R,4aS,6aR,6aS,6bR,10S,11R,12aR,14bR)-1,10,11-trihydroxy-1,2,6a,6b,9,9,12a-heptamethyl-2,3,4,5,6,6a,7,8,8a,10,11,12,13,14b-tetradecahydropicene-4a-carboxylic acid
- English name
- euscaphic acid
- Molecular formula
- C30H48O5
- Molecular weight
- 488.7
Names & synonyms
2alpha,3alpha,19 alpha-Trihydroxyurs-12-en-28-oic acidRefChem:1064939(1R,2R,4aS,6aR,6aS,6bR,10S,11R,12aR,14bR)-1,10,11-trihydroxy-1,2,6a,6b,9,9,12a-heptamethyl-2,3,4,5,6,6a,7,8,8a,10,11,12,13,14b-tetradecahydropicene-4a-carboxylic acidJacarandic acidUNII-LG23EX5V2JNSC 733507AC-31923euscaphicaciEuscapic acidEuscophic acideuscaphic acidAcuminatic acid
Show more names
Euscaphic acid, 10 mM in DMSOUrs-12-en-28-oic acid,2,3,19-trihydroxy-, (2a,3a)-Urs-12-en-28-oic acid, 2,3,19-trihydroxy-, (2α,3α)-
Database identifiers
- CAS
53155-25-2- PubChem CID
- 73645
Properties
Computed structural properties
- XLogP
- 5
- Topological polar surface area
- 98 Ų
- Hydrogen bond donors
- 4
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 1
- Heavy atoms
- 35
- Formal charge
- 0
- Complexity
- 956
Physicochemical properties
- Melting point
- 262 · 262-264 °C(Solv: chloroform (67-66-3); methanol (67-56-1))
- Boiling point
- 602.7 · 602.7±55.0 °C(Predicted)
- Density
- 1.19 · 1.19±0.1 g/cm3(Predicted)
- storage temp.
- -20 °C · -20°C Freezer
- solubility
- Methanol (Slightly), Pyridine (Slightly)
- form
- Solid
- pka
- 4.47 · 4.47±0.70(Predicted)
- color
- White to Off-White
- InChIKey
- OXVUXGFZHDKYLS-SPQMEPECSA-N
- SMILES
- C[C@H]1[C@](O)(C)[C@H]2[C@@](C(=O)O)(CC[C@]3([C@@]4(C)[C@@H]([C@@]5(C(CC4)C(C)(C)[C@H](O)[C@H](O)C5)C)CC=C32)C)CC1
- FDA UNII
- 23 EX5V2J · LG23EX5V2J
- NACRES
- 21 · NA.21
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
Safety data
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Storage Class
- 11 - Combustible Solids
- Hazard statements
- H302
- Hazard Classifications
- Acute Tox. 4 Oral
- Precautionary statements
- P264-P270-P301+P312-P501
Chemistry & industry
Applications
UsesEuscaphic Acid is a hypoglycemic natural product from Folium Eriobotryae with anti-inflammatory properties. Euscaphic Acid also downregulates NF-κB activations and inhibits LPS-induced inflammatory responses.
Suppliers88 total
陕西缔都医药有限责任公司029-81124775 17791530730 · [email protected]
南京世洲生物科技有限公司025-85560043 15850508050 · [email protected]
成都普瑞法科技开发有限公司+86-028-82633397 18982077548 · [email protected]
銘瑞集團有限公司17318633522 · [email protected]
成都乐美天医药科技有限公司17308096051 17308096051 · [email protected]
成都彼样生物科技有限公司18108052721 · [email protected]
成都健腾生物技术有限公司028-85159085 18080455027 · [email protected]
成都市久鼎化学技术有限公司18584079237 · [email protected]
武汉众志诚生物技术有限公司13628624121 13628604890 · [email protected]
成都普睿法药物研发有限公司82633860 18982077548 · [email protected]
Aladdin Scientific[email protected]
上海晶抗生物工程有限公司021-54721350 13524668266 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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