469-59-0
Product Name:
JERVINE
Formula:
C27H39NO3
Synonyms:
(3β, 23β)-17,23-Epoxy-3-hydroxyveratraman-11-one;(3β, 23β)-17,23-Epoxy-3-hydroxyveratraman-11-one, 11-Ketocyclopamine, Shh Signaling Antagonist III;11-Ketocyclopamine;Jervine - CAS 469-59-0 - Calbiochem
Inquiry
CHEMICAL AND PHYSICAL PROPERTIES
| Physical Description | Solid; [Merck Index] |
|---|---|
| Color/Form | NEEDLES FROM METHANOL + WATER |
| Melting Point | 243.5-244.5 °C |
| Solubility | SOL IN ALCOHOL, ACETONE, CHLOROFORM |
| Optical Rotation | SPECIFIC OPTICAL ROTATION (ETHANOL): -150 DEG @ 20 °C/D; -167.6 DEG @ 20 °C/D (CHLOROFORM); MAX ABSORPTION: 250, 360 NM (E= 15,000, 60) |
| Decomposition | When heated to decomp ... emits toxic fumes of /nitrogen oxides/. |
| Chemical Classes | Biological Agents -> Plant Toxins |
SAFETY INFORMATION
| Signal word | Danger |
|---|---|
| Pictogram(s) |
 Skull and Crossbones Acute Toxicity GHS06  Health Hazard GHS08 |
| GHS Hazard Statements |
H301:Acute toxicity,oral |
| Precautionary Statement Codes |
P201:Obtain special instructions before use. |
COMPUTED DESCRIPTORS
| Molecular Weight | 425.6 g/mol |
|---|---|
| XLogP3 | 2.9 |
| Hydrogen Bond Donor Count | 2 |
| Hydrogen Bond Acceptor Count | 4 |
| Rotatable Bond Count | 0 |
| Exact Mass | 425.29299411 g/mol |
| Monoisotopic Mass | 425.29299411 g/mol |
| Topological Polar Surface Area | 58.6 Ų |
| Heavy Atom Count | 31 |
| Formal Charge | 0 |
| Complexity | 876 |
| Isotope Atom Count | 0 |
| Defined Atom Stereocenter Count | 10 |
| Undefined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| Covalently-Bonded Unit Count | 1 |
| Compound Is Canonicalized | Yes |
PRODUCT INTRODUCTION
description
Jervine is a member of piperidines.