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465-16-7

465-16-7 structural image
Product Name: OLEANDRIN
Formula: C32H48O9
Synonyms: Foliandrin;Neriol;Neriolin;Neriostene;Folinerin
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CHEMICAL AND PHYSICAL PROPERTIES

Physical Description Solid; [Merck Index] Colorless odorless solid; [IARC]
Color/Form Crystals from ethanol
Melting Point 250 °C
Solubility Practically insoluble in water
LogP log Kow = 2.53
Stability/Shelf Life Stable under recommended storage conditions.
Optical Rotation Specific optical rotation: -48.0 deg at 25 °C/D (c= 1.3 in methanol)
Decomposition When heated to decomposition it emits acrid smoke and irritating fumes.
Other Experimental Properties Leaflets from alcohol. MP: 138-240 °C. Specific optical rotation: -24.9 deg at 18 °C/D /Oleandrin desacetyloleandrin/
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 H373:Specific target organ toxicity, repeated exposure
Precautionary Statement Codes P260:Do not breathe dust/fume/gas/mist/vapours/spray.
P264:Wash hands thoroughly after handling.
P264:Wash skin thouroughly after handling.
P284:Wear respiratory protection.
P403+P233:Store in a well-ventilated place. Keep container tightly closed.

COMPUTED DESCRIPTORS

Molecular Weight 576.7 g/mol
XLogP3 2.4
Hydrogen Bond Donor Count 2
Hydrogen Bond Acceptor Count 9
Rotatable Bond Count 6
Exact Mass 576.32983310 g/mol
Monoisotopic Mass 576.32983310 g/mol
Topological Polar Surface Area 121 Ų
Heavy Atom Count 41
Formal Charge 0
Complexity 1080
Isotope Atom Count 0
Defined Atom Stereocenter Count 13
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

Oleandrin is a steroid saponin that consists of oleandrigenin having a 2,6-dideoxy-3-O-methyl-alpha-L-arabino-hexopyranosyl residue attached to the oxygen function at position 3. It is a cardenolide glycoside, a 14beta-hydroxy steroid, a steroid ester and a steroid saponin. It is functionally related to an oleandrigenin.