Compound: beta-Amyrin
SMILES: O[C@@H]1C([C@H]2[C@]([C@@H]3[C@@]([C@]4(C([C@H]5[C@@](CCC(C5)(C)C)(C)CC4)=CC3)C)(C)CC2)(C)CC1)(C)C
InChIKey: JFSHUTJDVKUMTJ-QHPUVITPSA-N
Synonyms: beta-Amyrin, 559-70-6, Olean-12-en-3beta-ol, (3S,4aR,6aR,6bS,8aR,12aR,14aR,14bR)-4,4,6a,6b,8a,11,11,14b-octamethyl-1,2,3,4a,5,6,7,8,9,10,12,12a,14,14a-tetradecahydropicen-3-ol, KM8353IPSO, CHEBI:10352, DTXSID201025005, NSC-527971, RefChem:29763, DTXCID201509231, 209-204-6, Amyrin, B-Amyrin, Olean-12-en-3-ol, (3b)-, Olean-12-en-3-ol, (3beta)-, MFCD00017381, 3beta-hydroxyolean-12-ene, CHEMBL455098, (3S,4aR,6aR,6bS,8aR,12aR,14aR,14bR)-4,4,6a,6b,8a,11,11,14b-octamethyl-1,2,3,4,4a,5,6,6a,6b,7,8,8a,9,10,11,12,12a,14,14a,14b-icosahydropicen-3-ol, UNII-KM8353IPSO, -amyrin, beta.-Amyrenol, beta -Amyrin, beta.-Amyrin, EINECS 209-204-6, I(2)-Amyrin, NSC 527971, Olean-12-en-3b-ol, AMYRIN, BETA-, 12-Oleanen-3-beta-ol, .BETA.-AMYRIN [MI], SCHEMBL377754, (3beta)-olean-12-en-3-ol, orb1297602, orb3139290, beta-Amyrin, analytical standard, JFSHUTJDVKUMTJ-QHPUVITPSA-N, EX-A6672, HY-N2922, (3-.beta.)-Olean-12-en-3-ol, Olean-12-en-3-ol, (3|A)-, BDBM50241955, AKOS032962060, EBC-616664, FA16227, LMPR0106150015, BS-32560, CS-0023527, NS00076600, C08616, D85202, Q27108621, (3S,4aR,5R,6aR,6bR,8S,8aR,12aR,14aR,14bR)-4,4,6a,6b,8a,11,11,14b-Octamethyl-1,2,3,4,4a,5,6,6a,6b,7,8,8a,9,10,11,12,12a,14,14a,14b-eicosahydro-picen-3-ol
Theoretical properties:
molecular_formula: C30H50O
molecular_weight: 426.7 g/mol
exact_mass: 426.386166214 g/mol
formal_charge: 0
hydrogen_bond_donor_count: 1
hydrogen_bond_acceptor_count: 1
rotatable_bond_count: 0
heavy_atom_count: 31
topological_polar_surface_area: 20.2 Å²
isotope_atom_count: 0
covalently_bonded_unit_count: 1
Physical properties:
Descriptions:
pubchem: Beta-amyrin is a pentacyclic triterpenoid that is oleanane substituted at the 3beta-position by a hydroxy group and containing a double bond between positions 12 and 13. It is one of the most commonly occurring triterpenoids in higher plants. It has a role as a plant metabolite and an Aspergillus metabolite. It is a pentacyclic triterpenoid and a secondary alcohol. It derives from a hydride of an oleanane.
chebi: A pentacyclic triterpenoid that is oleanane substituted at the 3β-position by a hydroxy group and containing a double bond between positions 12 and 13. It is one of the most commonly occurring triterpenoids in higher plants.
wikipedia: The amyrins are three closely related natural chemical compounds of the triterpene class.  They are designated α-amyrin (ursane skeleton), β-amyrin (oleanane skeleton), and δ-amyrin. Each is a pentacyclic triterpenol with the chemical formula C30H50O. They are widely distributed in nature and have been isolated from a variety of plant sources such as epicuticular wax. In plant biosynthesis, α-amyrin is the precursor of ursolic acid and β-amyrin is the precursor of oleanolic acid. All three amyrins occur in the surface wax of tomato fruit. α-Amyrin is found in dandelion coffee.
A study demonstrated that α,β-amyrin exhibits long-lasting antinociceptive and anti-inflammatory properties in 2 models of persistent nociception via activation of the cannabinoid receptors CB1 and CB2 and by inhibiting the production of cytokines and expression of NF-κB, CREB, and cyclooxygenase 2.