Basic information
- CAS
560-66-7- Standard SMILES
C=C(CC[C@@H](C(=O)O)[C@H]1CC[C@@]2(C)C3=C(CC[C@]12C)[C@@]1(C)CC[C@H](O)C(C)(C)[C@@H]1CC3)C(C)C- InChIKey
UGMQOYZVOPASJF-OXUZYLMNSA-N- Molecular formula
- C31H50O3
- Average molar mass
- 470.7 g/mol
- Monoisotopic mass
- 470.37599545
Overview
(2R)-2-[(1R,3aR,5aR,7S,9aS,11aR)-7-hydroxy-3a,6,6,9a,11a-pentamethyl-1H,2H,3H,4H,5H,5aH,7H,8H,9H,10H,11H-cyclopenta[a]phenanthren-1-yl]-6-methyl-5-methylideneheptanoic acid has been reported in Laetiporus versisporus, Porotheleum, and other organisms with data available.
Names & identifiers
- Preferred name
- Eburicoic Acid
- IUPAC
- (2R)-2-[(3S,5R,10S,13R,14R,17R)-3-hydroxy-4,4,10,13,14-pentamethyl-2,3,5,6,7,11,12,15,16,17-decahydro-1H-cyclopenta[a]phenanthren-17-yl]-6-methyl-5-methylideneheptanoic acid
- English name
- (2R)-2-[(3S,5S,10S,13R,14R,17R)-3-hydroxy-4,4,10,13,14-pentamethyl-2,3 ,5,6,7,11,12,15,16,17-decahydro-1H-cyclopenta[a]phenanthren-17-yl]-6-m ethyl-5-methylidene-heptanoic acid
- Molecular formula
- C31H50O3
- Molecular weight
- 470.74
Names & synonyms
Eburicoic acid560-66-7FE37KG6A7QNSC-41969(2R)-2-[(3S,5R,10S,13R,14R,17R)-3-hydroxy-4,4,10,13,14-pentamethyl-2,3,5,6,7,11,12,15,16,17-decahydro-1H-cyclopenta[a]phenanthren-17-yl]-6-methyl-5-methylideneheptanoic acid(2R)-2-((3S,5R,10S,13R,14R,17R)-3-hydroxy-4,4,10,13,14-pentamethyl-2,3,5,6,7,11,12,15,16,17-decahydro-1H-cyclopenta(a)phenanthren-17-yl)-6-methyl-5-methylideneheptanoic acidRefChem:1361883 beta-hydroxy-24-methylene-8-lanostene-21-oic acidEburcoic acid(r)-2-((3s,5r,10s,13r,14r,17r)-3-hydroxy-4,4,10,13,14-pentamethyl-2,3,4,5,6,7,10,11,12,13,14,15,16,17-tetradecahydro-1h-cyclopenta[a]phenanthren-17-yl)-6-methyl-5-methyleneheptanoic acid3beta-Hydroxy-24-methylene-8-lanostene-21-oic acidNSC41969
Show more names
Eburicoicaci3beta-Hydroxy-24-methylene-8-lanosten-21-oic acidLanost-8-en-21-oic acid, 3-hydroxy-24-methylene-, (3β)-Eburicoic acid 3β-Hydroxy-24-methylene-8-lanosten-21-oic acid
Properties
Computed structural properties
- XLogP
- 8
- Topological polar surface area
- 57.5 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 6
- Heavy atoms
- 34
- Formal charge
- 0
- Complexity
- 881
Experimental & physicochemical properties
LipidsLipids -> Prenol Lipids [PR] -> Isoprenoids [PR01] -> C30 isoprenoids (triterpenes) [PR0106]
Physicochemical properties
- Melting point
- 283 °C · 283 °C
- Boiling point
- 572.6 · 572.6±50.0 °C(Predicted)
- Density
- 1.05 · 1.05±0.1 g/cm3(Predicted)
- solubility
- Soluble in Chloroform,Dichloromethane,Ethyl Acetate,DMSO,Acetone,etc.
- form
- Powder
- pka
- 4.65 · 4.65±0.10(Predicted)
- color
- White to off-white
- FDA UNII
- 37 KG6A7Q · FE37KG6A7Q
Chemistry & industry
Applications
UsesEburicoic Acid can be useful in the study of constituents from fruiting bodies of Trametes cubensis and Trametes suaveolens in Vietnam and their anti-inflammatory bioactivity.
Suppliers61 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]
上海纯优生物科技有限公司15921393123 18302135232 · [email protected]
上海麦克林生化科技股份有限公司021-50706066 15221275939 · [email protected]
江苏永健医药科技有限公司17701422015 · [email protected]
成都彼样生物科技有限公司18108052721 · [email protected]
合肥翰刚医药科技有限公司+8618062405514 · [email protected]
上海毕得医药科技股份有限公司400-1647117 13681763483 · [email protected]
武汉众志诚生物技术有限公司13628624121 13628604890 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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