Mogrol

Chemical Information
Mogrol is a tetracyclic triterpenoid that is cucurbitadienol in which the side-chain double bond (position 24-25) has undergone formal oxidation to introduce hydroxy groups at positions 24 and 25 (the 24R stereoisomer). It is a biometabolite of mogrosides found in Siraitia grosvenorii. It has a role as an antineoplastic agent. It is a tetracyclic triterpenoid and a hydroxy seco-steroid. It is functionally related to a cucurbitadienol.
| CAS Number | 88930-15-8 |
| PubChem CID | 14525327 |
| IUPAC Name | (3S,8S,9R,10R,11R,13R,14S,17R)-17-[(2R,5R)-5,6-dihydroxy-6-methylheptan-2-yl]-4,4,9,13,14-pentamethyl-2,3,7,8,10,11,12,15,16,17-decahydro-1H-cyclopenta[a]phenanthrene-3,11-diol |
| Molecular Formula | C30H52O4 |
| Molecular Weight | 476.7 |
| XLogP | 5.4 |
| Topological Polar Surface Area | 80.9 |
| Hydrogen Bond Donor Count | 4 |
| Hydrogen Bond Acceptor Count | 4 |
| Rotatable Bond Count | 5 |
| Heavy Atom Count | 34 |
| Formal Charge | 0 |
| Complexity | 817 |
| Property | Value |
|---|---|
| Molecular Weight | 476.7 |
| XLogP3 | 5.4 |
| Hydrogen Bond Donor Count | 4 |
| Hydrogen Bond Acceptor Count | 4 |
| Rotatable Bond Count | 5 |
| Exact Mass | 476.38656014 |
| Monoisotopic Mass | 476.38656014 |
| Topological Polar Surface Area | 80.9 Ų |
| Heavy Atom Count | 34 |
| Formal Charge | 0 |
| Complexity | 817 |
| 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 |
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