COMPUTED DESCRIPTORS
| Molecular Weight | 618.7 g/mol |
|---|---|
| XLogP3 | 2.4 |
| Hydrogen Bond Donor Count | 2 |
| Hydrogen Bond Acceptor Count | 12 |
| Rotatable Bond Count | 11 |
| Exact Mass | 618.26762677 g/mol |
| Monoisotopic Mass | 618.26762677 g/mol |
| Topological Polar Surface Area | 172 Ų |
| Heavy Atom Count | 44 |
| Formal Charge | 0 |
| Complexity | 1380 |
| Isotope Atom Count | 0 |
| Defined Atom Stereocenter Count | 8 |
| Undefined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 2 |
| Undefined Bond Stereocenter Count | 0 |
| Covalently-Bonded Unit Count | 1 |
| Compound Is Canonicalized | Yes |
PRODUCT INTRODUCTION
description
[(3R,3aS,4R,6R,6aS,7R,8R,9bR)-6-acetyloxy-3,3a-dihydroxy-3,6,9-trimethyl-8-[(Z)-2-methylbut-2-enoyl]oxy-4-(3-methylbut-2-enoyloxy)-2-oxo-4,5,6a,7,8,9b-hexahydroazuleno[4,5-b]furan-7-yl] (Z)-2-methylbut-2-enoate is a natural product found in Thapsia maxima, Thapsia villosa, and Thapsia garganica with data available.