Lup-20(29)-en-3-ol, (3beta)-
(1R,3aR,5bR,7aR,9S,11aR,11bR,13aR,13bR)-3a,5a,5b,8,8,11a-hexamethyl-1-prop-1-en-2-yl-1,2,3,4,5,6,7,7a,9,10,11,11b,12,13,13a,13b-hexadecahydrocyclopenta[a]chrysen-9-ol
Also Known As: Lupeol|Fagarsterol|Lupenol|Fagarasterol|Clerodol|beta-Viscol|Monogynol B|Triterpene lupeol|mono-gynol B|Monogynol B (6CI)|Lup-20(29)-en-3beta-ol|Lup-20(29)-en-3-ol|EINECS 208-889-9|Lup-20(29)-en-3-beta-ol|KST-1A6052|(3-beta)-Lup-20(29)-en-3-ol|Lup-20(29)-en-3-ol, (3beta)-|(3|A,14xi)-lup-20(29)-en-3-ol|Lup-20(29)-en-3-ol, (3-beta)-|Lup-20(29)-en-3-ol, (3.beta.)-|(1R,3aR,5bR,7aR,9S,11aR,11bR,13aR,13bR)-1-isopropenyl-3a,5a,5b,8,8,11a-hexamethyl-1,2,3,4,5,6,7,7a,9,10,11,11b,12,13,13a,13b-hexadecahydrocyclopenta[a]chrysen-9-ol|(1R,3aR,5bR,7aR,9S,11aR,11bR,13aR,13bR)-1-Isopropenyl-3a,5a,5b,8,8,11a-hexamethyl-eicosahydro-cyclopenta[a]chrysen-9-ol|(1R,3aR,5bR,7aR,9S,11aR,11bR,13aR,13bR)-3a,5a,5b,8,8,11a-hexamethyl-1-(prop-1-en-2-yl)icosahydro-1H-cyclopenta[a]chrysen-9-ol|(1R,3aR,5bR,7aR,9S,11aR,11bR,13aR,13bR)-3a,5a,5b,8,8,11a-hexamethyl-1-prop-1-en-2-yl-1,2,3,4,5,6,7,7a,9,10,11,11b,12,13,13a,13b-hexadecahydrocyclopenta[a]chrysen-9-ol
| Molecular Formula | C30H50O |
|---|---|
| Molecular Weight | 426.38617 g/mol |
| LogP | 8.02 |
| Topological Polar Surface Area | 20.23 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 1 |
| Exact Mass | 426.38617 |
| Heavy Atoms | 31 |
| Complexity | 766.4 |
Chemical Identifiers
| CAS Number | 545-47-1 |
|---|---|
| SMILES | CC(=C)[C@@H]1CC[C@]2([C@H]1[C@H]3CC[C@@H]4[C@]5(CC[C@@H](C([C@@H]5CC[C@]4(C3(CC2)C)C)(C)C)O)C)C |
Product Overview
Lup-20(29)-en-3-ol, (3beta)- (CAS 545-47-1), with molecular formula C30H50O and molecular weight 426.38617 g/mol. IUPAC: (1R,3aR,5bR,7aR,9S,11aR,11bR,13aR,13bR)-3a,5a,5b,8,8,11a-hexamethyl-1-prop-1-en-2-yl-1,2,3,4,5,6,7,7a,9,10,11,11b,12,13,13a,13b-hexadecahydrocyclopenta[a]chrysen-9-ol.
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