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143-62-4

143-62-4 structural image
Product Name: DIGITOXIGENIN
Formula: C23H34O4
Synonyms: 3β,14-Dihydroxy-5β,20(22)-cardenolide;3,14,21-Trihydroxy-20(22)-norcholenic acid lactone;5β,20(22)-Cardenolide-3β,14-diol
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SAFETY INFORMATION

Signal word Danger
Pictogram(s)

Skull and Crossbones
Acute Toxicity
GHS06
GHS Hazard Statements H300:Acute toxicity,oral
Precautionary Statement Codes P264:Wash hands thoroughly after handling.
P264:Wash skin thouroughly after handling.
P270:Do not eat, drink or smoke when using this product.
P301+P310:IF SWALLOWED: Immediately call a POISON CENTER or doctor/physician.
P405:Store locked up.
P501:Dispose of contents/container to..…

COMPUTED DESCRIPTORS

Molecular Weight 374.5 g/mol
XLogP3 2.6
Hydrogen Bond Donor Count 2
Hydrogen Bond Acceptor Count 4
Rotatable Bond Count 1
Exact Mass 374.24570956 g/mol
Monoisotopic Mass 374.24570956 g/mol
Topological Polar Surface Area 66.8 Ų
Heavy Atom Count 27
Formal Charge 0
Complexity 686
Isotope Atom Count 0
Defined Atom Stereocenter Count 8
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

Digitoxigenin is a 5beta-cardenolide that is 5beta-cardanolide with hydroxy substituents at the 3beta- and 14beta-positions and double bond unsaturation at C(20)-C(22). It is a 3beta-hydroxy steroid and a 14beta-hydroxy steroid. It derives from a hydride of a 5beta-cardanolide.