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17575-22-3

17575-22-3 structural image
Product Name: LANATOSIDE C
Formula: C49H76O20
Synonyms: Digilanide C;Digilanogen C;Isolanide;Lanatigen C
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CHEMICAL AND PHYSICAL PROPERTIES

Collision Cross Section 289.4 Ų [M+H]+ [CCS Type: TW, Method: calibrated with polyalanine and drug standards]

SAFETY INFORMATION

Signal word Danger
Pictogram(s)

Skull and Crossbones
Acute Toxicity
GHS06

Health Hazard
GHS08
GHS Hazard Statements H301:Acute toxicity,oral
H330:Acute toxicity,inhalation
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.
P270:Do not eat, drink or smoke when using this product.
P271:Use only outdoors or in a well-ventilated area.
P314:Get medical advice/attention if you feel unwell.

COMPUTED DESCRIPTORS

Molecular Weight 985.1 g/mol
XLogP3 0.2
Hydrogen Bond Donor Count 8
Hydrogen Bond Acceptor Count 20
Rotatable Bond Count 12
Exact Mass 984.49299481 g/mol
Monoisotopic Mass 984.49299481 g/mol
Topological Polar Surface Area 288 Ų
Heavy Atom Count 69
Formal Charge 0
Complexity 1870
Isotope Atom Count 0
Defined Atom Stereocenter Count 26
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

lanatoside C is a natural product found in Digitalis lamarckii, Digitalis grandiflora, and other organisms with data available.

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