Caudatin

Chemical Information
(1S,3aR,3bS,7S,9aR,9bR,11R,11aS)-1-acetyl-1,3a,3b,7-tetrahydroxy-9a,11a-dimethyl-2H,3H,4H,6H,7H,8H,9H,9bH,10H,11H-cyclopenta[a]phenanthren-11-yl (2E)-3,4-dimethylpent-2-enoate has been reported in Araujia sericifera with data available.
| CAS Number | 38395-02-7 |
| PubChem CID | 21633059 |
| IUPAC Name | [(3S,8S,9R,10R,12R,13S,14R,17S)-17-acetyl-3,8,14,17-tetrahydroxy-10,13-dimethyl-1,2,3,4,7,9,11,12,15,16-decahydrocyclopenta[a]phenanthren-12-yl] (E)-3,4-dimethylpent-2-enoate |
| Molecular Formula | C28H42O7 |
| Molecular Weight | 490.6 |
| XLogP | 2.4 |
| Topological Polar Surface Area | 124 |
| Hydrogen Bond Donor Count | 4 |
| Hydrogen Bond Acceptor Count | 7 |
| Rotatable Bond Count | 5 |
| Heavy Atom Count | 35 |
| Formal Charge | 0 |
| Complexity | 984 |
| Property | Value |
|---|---|
| Molecular Weight | 490.6 |
| XLogP3 | 2.4 |
| Hydrogen Bond Donor Count | 4 |
| Hydrogen Bond Acceptor Count | 7 |
| Rotatable Bond Count | 5 |
| Exact Mass | 490.29305367 |
| Monoisotopic Mass | 490.29305367 |
| Topological Polar Surface Area | 124 Ų |
| Heavy Atom Count | 35 |
| Formal Charge | 0 |
| Complexity | 984 |
| Isotope Atom Count | 0 |
| Defined Atom Stereocenter Count | 8 |
| Undefined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 1 |
| Undefined Bond Stereocenter Count | 0 |
| Covalently-Bonded Unit Count | 1 |
| Compound Is Canonicalized | Yes |
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