Urs-12-en-3-yl benzoate
(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) benzoate
Also Known As: alpha-Amyrin benzoate|.alpha.-Amyrin benzoate|urs-12-en-3-yl benzoate|.alpha.-Amyrin, benzoate|alpha-Amyrin benzoate [MI]|Urs-12-en-3.beta.-ol, benzoate|URS-12-EN-3beta-ol, benzoate|Urs-12-en-3-ol, (3.beta.)-|URS-12-EN-3-ol, benzoate, (3beta)-|Urs-12-en-3-ol, benzoate, (3.beta.)-|URS-12-EN-3-ol, 3-benzoate, (3beta)-|(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) benzoate
| Molecular Formula | C37H54O2 |
|---|---|
| Molecular Weight | 530.41235 g/mol |
| LogP | 11.2 |
| Topological Polar Surface Area | 26.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 3 |
| Exact Mass | 530.41235 |
| Monoisotopic Mass | 530.41235 |
| Heavy Atoms | 39 |
| Complexity | 1000.0 |
Chemical Identifiers
| CAS Number | 4746-36-5 |
|---|---|
| SMILES | CC1CCC2(CCC3(C(=CCC4C3(CCC5C4(CCC(C5(C)C)OC(=O)C6=CC=CC=C6)C)C)C2C1C)C)C |
| InChIKey | IGRQFDSINDYBII-UHFFFAOYSA-N |
Product Overview
Urs-12-en-3-yl benzoate (CAS 4746-36-5), with molecular formula C37H54O2 and molecular weight 530.41235 g/mol. 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) benzoate.
Urs-12-en-3-yl benzoate is a custom synthesis product. We offer services from milligram to kilogram scale.
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