Schleicheol 1

Chemical Information
(1R,3aS,3bS,4R,7S,9aR,9bS,11aR)-1-[(2R,5R)-5-ethyl-6-methylheptan-2-yl]-4-methoxy-9a,11a-dimethyl-1H,2H,3H,3aH,3bH,4H,6H,7H,8H,9H,9bH,10H,11H-cyclopenta[a]phenanthren-7-ol has been reported in Schleichera oleosa and Cremanthodium discoideum with data available.
| CAS Number | 256445-66-6 |
| PubChem CID | 10623182 |
| IUPAC Name | (3S,7R,8S,9S,10R,13R,14S,17R)-17-[(2R,5R)-5-ethyl-6-methylheptan-2-yl]-7-methoxy-10,13-dimethyl-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-ol |
| Molecular Formula | C30H52O2 |
| Molecular Weight | 444.7 |
| XLogP | 8.8 |
| Topological Polar Surface Area | 29.5 |
| Hydrogen Bond Donor Count | 1 |
| Hydrogen Bond Acceptor Count | 2 |
| Rotatable Bond Count | 7 |
| Heavy Atom Count | 32 |
| Formal Charge | 0 |
| Complexity | 682 |
| Property | Value |
|---|---|
| Molecular Weight | 444.7 |
| XLogP3 | 8.8 |
| Hydrogen Bond Donor Count | 1 |
| Hydrogen Bond Acceptor Count | 2 |
| Rotatable Bond Count | 7 |
| Exact Mass | 444.396730897 |
| Monoisotopic Mass | 444.396730897 |
| Topological Polar Surface Area | 29.5 Ų |
| Heavy Atom Count | 32 |
| Formal Charge | 0 |
| Complexity | 682 |
| Isotope Atom Count | 0 |
| Defined Atom Stereocenter Count | 10 |
| Undefined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| Covalently-Bonded Unit Count | 1 |
| Compound Is Canonicalized | Yes |
Related Products
Alternative Products
| Catalog | Name |
|---|---|
| TN4960 | Schleicheol 1 |
| TN4961 | Schleicheol 2 |
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