Cyclovirobuxin D
(6S,8R,11S,14R,15S,16R)-7,7,12,16-tetramethyl-6-(methylamino)-15-[(1S)-1-(methylamino)ethyl]pentacyclo[9.7.0.01,3.03,8.012,16]octadecan-14-ol
Also Known As: Cyclovirobuxin D|Cyclovirobuxine|Bebuxine|Cyclovirobuxine D|CVB-D|9,19-Cyclo-5-alpha,9-beta-pregnan-16-alpha-ol, 4,4,14-trimethyl-3-beta,20-alpha-bis(methylamino)-|9,19-Cyclopregnan-16-ol, 4,4,14-trimethyl-3,20-bis(methylamino)-, (3beta,5alpha,16alpha,20S)-
| Molecular Formula | C26H46N2O |
|---|---|
| Molecular Weight | 402.36102 g/mol |
| LogP | 5.9 |
| Topological Polar Surface Area | 44.3 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 402.36102 |
| Monoisotopic Mass | 402.36102 |
| Heavy Atoms | 29 |
| Complexity | 692.0 |
Chemical Identifiers
| CAS Number | 860-79-7 |
|---|---|
| SMILES | C[C@@H]([C@H]1[C@@H](CC2([C@@]1(CCC34[C@H]2CC[C@@H]5C3(C4)CC[C@@H](C5(C)C)NC)C)C)O)NC |
| InChIKey | GMNAPBAUIVITMI-BDKDDEIASA-N |
Product Overview
Cyclovirobuxin D (CAS 860-79-7), with molecular formula C26H46N2O and molecular weight 402.36102 g/mol. IUPAC: (6S,8R,11S,14R,15S,16R)-7,7,12,16-tetramethyl-6-(methylamino)-15-[(1S)-1-(methylamino)ethyl]pentacyclo[9.7.0.01,3.03,8.012,16]octadecan-14-ol.
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