Beta-Amyrin Acetate
Basic information
- CAS
1616-93-9- Standard SMILES
CC(=O)O[C@H]1CC[C@]2(C)[C@H]3CC=C4[C@@H]5CC(C)(C)CC[C@]5(C)CC[C@@]4(C)[C@]3(C)CC[C@H]2C1(C)C- InChIKey
UMRPOGLIBDXFNK-ZYGITSNFSA-N- Molecular formula
- C32H52O2
- Average molar mass
- 468.8 g/mol
- Monoisotopic mass
- 468.3967309
Overview
Beta-amyrin acetate is a triterpenoid.
Names & identifiers
- Preferred name
- Beta-Amyrin Acetate
- IUPAC
- [(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-yl] acetate
- English name
- [(3S,4aS,6aR,6bS,8aR,12aR,14aS,14bS)-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-yl] acetate
- Molecular formula
- C32H52O2
- Molecular weight
- 468.75
Names & synonyms
beta-Amyrin acetate1616-93-9AM1H7102OC[(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-yl] acetate(3beta)-olean-12-en-3-yl acetateNSC-403166((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-yl) acetateRefChem:119200(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-yl acetateAMYRIN, ACETATE, B-CHEMBL489760beta-Amyrenyl acetate
Show more names
β-Amyrin acetateO-Acetyl-β-amyrinβ-Amyrenyl acetateErythrodiol 3-acetateOlean-12-en-3β-ol acetateAMYRIN ACETATE, BETA- (RG)Olean-12-en-3-ol,3-acetate, (3b)-Olean-12-en-3-ol, 3-acetate, (3β)-Acetic acid 5α-olean-12-en-3β-yl ester
O-Acetyl-beta-amyrin.beta.-Amyrin acetate3-O-Acetyl-beta-amyrinUNII-AM1H7102OCbeta-acetylamyrinBeta-AmyrinacetateOlean-12-en-3-ol, acetate, (3beta)-Germanicol 3-Acetate
Database identifiers
- CAS
1616-93-9- PubChem CID
- 92156
- ChEMBL
CHEMBL489760- ChEBI
CHEBI:190930- UNII
- AM1H7102OC
- Nikkaji
- J38.621I
Properties
Computed structural properties
- XLogP
- 9.7
- Topological polar surface area
- 26.3 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 2
- Heavy atoms
- 34
- Formal charge
- 0
- Complexity
- 897
Physicochemical properties
- solubility
- Soluble in Chloroform,Dichloromethane,Ethyl Acetate,DMSO,Acetone,etc.
- form
- Powder
- color
- White to off-white
- LogP
- 11.95 · 11.950 (est)
- FDA UNII
- 1 H7102OC · AM1H7102OC
Chemistry & industry
Applications
Usesβ-Amyrin acetate is a triterpenoid with potent anti-inflammatory, antifungal, anti-diabetic, anti-hyperlipidemic activities. β-Amyrin acetate can inhibit HMG-CoA reductase activity by locating in the hydrophobic binding cleft of HMG CoA reductase[1][2][3][4].
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Related reactions
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Compound notes
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