Crustecdysone

Chemical Information
20-hydroxyecdysone is an ecdysteroid that is ecdysone substituted by a hydroxy group at position 20. It has a role as an animal metabolite and a plant metabolite. It is an ecdysteroid, a phytoecdysteroid, a 3beta-sterol, a 20-hydroxy steroid, a 2beta-hydroxy steroid, a 14alpha-hydroxy steroid, a 22-hydroxy steroid and a 25-hydroxy steroid. It is functionally related to an ecdysone.
| CAS Number | 5289-74-7 |
| PubChem CID | 5459840 |
| IUPAC Name | (2S,3R,5R,9R,10R,13R,14S,17S)-2,3,14-trihydroxy-10,13-dimethyl-17-[(2R,3R)-2,3,6-trihydroxy-6-methylheptan-2-yl]-2,3,4,5,9,11,12,15,16,17-decahydro-1H-cyclopenta[a]phenanthren-6-one |
| Molecular Formula | C27H44O7 |
| Molecular Weight | 480.6 |
| XLogP | 0.5 |
| Topological Polar Surface Area | 138 |
| Hydrogen Bond Donor Count | 6 |
| Hydrogen Bond Acceptor Count | 7 |
| Rotatable Bond Count | 5 |
| Heavy Atom Count | 34 |
| Formal Charge | 0 |
| Complexity | 869 |
| Property | Value |
|---|---|
| Molecular Weight | 480.6 |
| XLogP3 | 0.5 |
| Hydrogen Bond Donor Count | 6 |
| Hydrogen Bond Acceptor Count | 7 |
| Rotatable Bond Count | 5 |
| Exact Mass | 480.30870374 |
| Monoisotopic Mass | 480.30870374 |
| Topological Polar Surface Area | 138 Ų |
| Heavy Atom Count | 34 |
| Formal Charge | 0 |
| Complexity | 869 |
| 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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