7β,8β-Epoxyroridin H

Chemical Information
7beta,8beta-epoxyroridin H is a trichothecene.
| CAS Number | 64687-85-0 |
| PubChem CID | 139589334 |
| IUPAC Name | (3R,8S,9S,13Z,20Z,22Z,26R,28S)-5,14,18,27-tetramethylspiro[2,7,11,17,25,30-hexaoxahexacyclo[24.2.1.116,19.03,9.06,8.09,27]triaconta-4,13,20,22-tetraene-28,2'-oxirane]-12,24-dione |
| Molecular Formula | C29H34O9 |
| Molecular Weight | 526.6 |
| XLogP | 1.8 |
| Topological Polar Surface Area | 105 |
| Hydrogen Bond Donor Count | 0 |
| Hydrogen Bond Acceptor Count | 9 |
| Rotatable Bond Count | 0 |
| Heavy Atom Count | 38 |
| Formal Charge | 0 |
| Complexity | 1190 |
| Property | Value |
|---|---|
| Molecular Weight | 526.6 |
| XLogP3 | 1.8 |
| Hydrogen Bond Donor Count | 0 |
| Hydrogen Bond Acceptor Count | 9 |
| Rotatable Bond Count | 0 |
| Exact Mass | 526.22028266 |
| Monoisotopic Mass | 526.22028266 |
| Topological Polar Surface Area | 105 Ų |
| Heavy Atom Count | 38 |
| Formal Charge | 0 |
| Complexity | 1190 |
| Isotope Atom Count | 0 |
| Defined Atom Stereocenter Count | 5 |
| Undefined Atom Stereocenter Count | 6 |
| Defined Bond Stereocenter Count | 3 |
| Undefined Bond Stereocenter Count | 0 |
| Covalently-Bonded Unit Count | 1 |
| Compound Is Canonicalized | Yes |
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