CHEMICAL AND PHYSICAL PROPERTIES
| Physical Description | Solid; [HSDB] |
|---|---|
| Color/Form | NEEDLES FROM ETHYL ACETATE |
| Melting Point | 207-207.5 °C |
| Optical Rotation | SPECIFIC OPTICAL ROTATION: +95 DEG @ 27 °C/D (ETHANOL, 1.03%); MAX ABSORPTION (ETHANOL): 231 NM (E= 11,100), 298 NM (E= 11,131) |
| Chemical Classes | Biological Agents -> Plant Toxins |
COMPUTED DESCRIPTORS
| Molecular Weight | 560.7 g/mol |
|---|---|
| XLogP3 | 2.8 |
| Hydrogen Bond Donor Count | 4 |
| Hydrogen Bond Acceptor Count | 8 |
| Rotatable Bond Count | 7 |
| Exact Mass | 560.33491849 g/mol |
| Monoisotopic Mass | 560.33491849 g/mol |
| Topological Polar Surface Area | 141 Ų |
| Heavy Atom Count | 40 |
| Formal Charge | 0 |
| Complexity | 1150 |
| Isotope Atom Count | 0 |
| Defined Atom Stereocenter Count | 9 |
| 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
Cucurbitacin C is a cucurbitacin.