Cyclovirobuxeine A
6-(dimethylamino)-15-[1-(dimethylamino)ethyl]-7,7,12,16-tetramethylpentacyclo[9.7.0.01,3.03,8.012,16]octadec-9-en-14-ol
Also Known As: Cyclovirobuxeine A|dimethylamino-[1-(dimethylamino)ethyl]-tetramethyl-[?]ol|7-(Dimethylamino)-1-(1-(dimethylamino)ethyl)-3a,6,6,12a-tetramethyl-2,3,3a,3b,5a,6,7,8,9,11,12,12a-dodecahydro-1H-cyclopenta(a)cyclopropa(e)phenanthren-2-ol|9,19-Cyclopregn-6-en-16-ol, 3,20-bis(dimethylamino)-4,4,14-trimethyl-[3.beta.,5.alpha.,16.alpha.,20S]-|9,19-CYCLOPREGN-6-EN-16-OL, 3,20-BIS(DIMETHYLAMINO)-4,4,14-TRIMETHYL-[3SS,5A,16A,20S]-
| Molecular Formula | C28H48N2O |
|---|---|
| Molecular Weight | 428.37668 g/mol |
| LogP | 5.7 |
| Topological Polar Surface Area | 26.7 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 428.37668 |
| Monoisotopic Mass | 428.37668 |
| Heavy Atoms | 31 |
| Complexity | 788.0 |
Chemical Identifiers
| CAS Number | 7727-91-5 |
|---|---|
| SMILES | CC(C1C(CC2(C1(CCC34C2C=CC5C3(C4)CCC(C5(C)C)N(C)C)C)C)O)N(C)C |
| InChIKey | UVWOWJBPZRXVCO-UHFFFAOYSA-N |
Product Overview
Cyclovirobuxeine A (CAS 7727-91-5), with molecular formula C28H48N2O and molecular weight 428.37668 g/mol. IUPAC: 6-(dimethylamino)-15-[1-(dimethylamino)ethyl]-7,7,12,16-tetramethylpentacyclo[9.7.0.01,3.03,8.012,16]octadec-9-en-14-ol.
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