Forskolin J

Chemical Information
(3R,4aR,5S,6S,6aS,10S,10aR,10bS)-6-(acetyloxy)-3-ethenyl-10,10b-dihydroxy-3,4a,7,7,10a-pentamethyl-1-oxo-hexahydro-2H-naphtho[2,1-b]pyran-5-yl acetate has been reported in Plectranthus ornatus with data available.
| CAS Number | 81873-08-7 |
| PubChem CID | 23254517 |
| IUPAC Name | [(3R,4aR,5S,6S,6aS,10S,10aR,10bS)-5-acetyloxy-3-ethenyl-10,10b-dihydroxy-3,4a,7,7,10a-pentamethyl-1-oxo-5,6,6a,8,9,10-hexahydro-2H-benzo[f]chromen-6-yl] acetate |
| Molecular Formula | C24H36O8 |
| Molecular Weight | 452.5 |
| XLogP | 1.6 |
| Topological Polar Surface Area | 119 |
| Hydrogen Bond Donor Count | 2 |
| Hydrogen Bond Acceptor Count | 8 |
| Rotatable Bond Count | 5 |
| Heavy Atom Count | 32 |
| Formal Charge | 0 |
| Complexity | 851 |
| Property | Value |
|---|---|
| Molecular Weight | 452.5 |
| XLogP3 | 1.6 |
| Hydrogen Bond Donor Count | 2 |
| Hydrogen Bond Acceptor Count | 8 |
| Rotatable Bond Count | 5 |
| Exact Mass | 452.24101810 |
| Monoisotopic Mass | 452.24101810 |
| Topological Polar Surface Area | 119 Ų |
| Heavy Atom Count | 32 |
| Formal Charge | 0 |
| Complexity | 851 |
| Isotope Atom Count | 0 |
| Defined Atom Stereocenter Count | 8 |
| Undefined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| Covalently-Bonded Unit Count | 1 |
| Compound Is Canonicalized | Yes |
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