52691-49-3
Product Name:
9,17-Octadecadiene-12,14-diyne-1,11,16-triol, 1-acetate, (9Z,11S,16S)-
Formula:
C20H28O4
Inquiry
COMPUTED DESCRIPTORS
| Molecular Weight | 332.4 g/mol |
|---|---|
| XLogP3 | 3.9 |
| Hydrogen Bond Donor Count | 2 |
| Hydrogen Bond Acceptor Count | 4 |
| Rotatable Bond Count | 13 |
| Exact Mass | 332.19875937 g/mol |
| Monoisotopic Mass | 332.19875937 g/mol |
| Topological Polar Surface Area | 66.8 Ų |
| Heavy Atom Count | 24 |
| Formal Charge | 0 |
| Complexity | 521 |
| Isotope Atom Count | 0 |
| Defined Atom Stereocenter Count | 2 |
| Undefined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 1 |
| Undefined Bond Stereocenter Count | 0 |
| Covalently-Bonded Unit Count | 1 |
| Compound Is Canonicalized | Yes |
PRODUCT INTRODUCTION
description
[(9Z,11S,16S)-11,16-dihydroxyoctadeca-9,17-dien-12,14-diynyl] acetate is a natural product found in Oplopanax horridus and Smyrnium olusatrum with data available.