Basic information
- CAS
863-76-3- Standard SMILES
CC(=O)OC1CCC2(C)C(CCC3(C)C2CC=C2C4C(C)C(C)CCC4(C)CCC23C)C1(C)C- InChIKey
UDXDFWBZZQHDRO-UHFFFAOYSA-N- Molecular formula
- C32H52O2
- Average molar mass
- 468.8 g/mol
- Monoisotopic mass
- 468.3967309
Overview
4,4,6a,6b,8a,11,12,14b-Octamethyl-1,2,3,4,4a,5,6,6a,6b,7,8,8a,9,10,11,12,12a,14,14a,14b-icosahydropicen-3-yl acetate is a triterpenoid.
Names & identifiers
- Preferred name
- Npc25529
- IUPAC
- (4,4,6a,6b,8a,11,12,14b-octamethyl-2,3,4a,5,6,7,8,9,10,11,12,12a,14,14a-tetradecahydro-1H-picen-3-yl) acetate
- English name
- alpha-Amyrenyl acetate
- Molecular formula
- C32H52O2
- Molecular weight
- 468.76
Names & synonyms
RefChem:1092972Npc25529Urs-12-en-3.beta.-ol, acetateUrs-12-en-3-ol,3-acetate, (3b)-.alpha.-Amyrin acetate.alpha.-Amyrenyl acetateUrs-12-en-3-ol, acetate, (3.beta.)-Urs-12-en-3-yl acetate #Urs-12-en-3beta-ol, acetate-amyrenyl acetateUrs-12-en-3-yl acetateSCHEMBL30021958
Show more names
alpha-amyrin acetateα-Acetylamyrine-Amyrinacetateα-Amyrin acetateI+-Amyrin acetatealfa-Amyrin Acetate3-O-Acetyl-α-amyrinalpha-Amyrenyl acetateUrs-12-en-3β-ol acetateUrsane-12-ene-3β-ol acetate
CHEBI:184492UDXDFWBZZQHDRO-UHFFFAOYSA-NDTXSID401006702Acetate(3beta)-Urs-12-en-3-olMFCD00200949NSC160881AKOS024431638D85203
Database identifiers
- CAS
863-76-3
Properties
Computed structural properties
- XLogP
- 9.6
- 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
- 885
Experimental & physicochemical properties
Melting Point225 - 226 °C
Physical DescriptionSolid
Physicochemical properties
- Melting point
- 225 · 225-226 °C
- Boiling point
- 508 · 508.0±50.0 °C(Predicted)
- Density
- 1.02 · 1.02±0.1 g/cm3(Predicted)
- storage temp.
- -20 °C · Store at -20°C
- solubility
- Soluble in Chloroform,Dichloromethane,Ethyl Acetate,DMSO,Acetone,etc.
- form
- Powder
- color
- White to off-white
- FDA UNII
- 266 N1630AL · 266N1630AL
Chemistry & industry
Pharmacology
Cellular LocationsExtracellular
Applications
Usesα-Amyrin acetate, a natural triterpenoid, has anti-inflammatory activity, antispasmodic profile and the relaxant effect[1][2].
Suppliers66 total
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]
成都乐美天医药科技有限公司17308096051 17308096051 · [email protected]
成都曼思特生物科技有限公司18010516991 · [email protected]
南京普怡生物科技有限公司13814510036 · [email protected]
上海纯优生物科技有限公司15921393123 18302135232 · [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]
成都市久鼎化学技术有限公司18584079237 · [email protected]
江苏艾康生物医药研发有限公司025-025-66113011 15955137747 · [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
Loading…