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Digitoxigenin

Digitoxigenin structure

CAS No:
143-62-4
Formula:
C23H34O4
Chemical Name:
Digitoxigenin
Synonyms:
Card-20(22)-enolide,3,14-dihydroxy-,(3β,5β)-;5β-Card-20(22)-enolide,3β,14-dihydroxy-;(3β,5β)-3,14-Dihydroxycard-20(22)-enolide;Digitoxigenin;Δ20:22-3,14,21-Trihydroxynorcholenic acid lactone;(+)-Digitoxigenin;NSC 407806;Cerberigenin;898812-68-5;1345697-31-5
Categories:
Biochemical Engineering > Plant Extracts

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.|Digitoxigenin is a cardenolide which is the aglycon of digitoxin.|3 beta,14-Dihydroxy-5 beta-card-20(22)enolide. A cardenolide which is the aglycon of digitoxin. Synonyms: Cerberigenin; Echujetin; Evonogenin; Thevetigenin.

Digitoxigenin Basic Attributes

Molecular Weight：

374.51

Exact Mass：

374.51

EC Number：

205-603-4

UNII：

S63WOD4VOL

NSC Number：

407806

DSSTox ID：

DTXSID80162276

Characteristics

PSA：

66.8

XLogP3：

2.79

Density：

1.0284 (rough estimate)

Melting Point：

253 °C

Boiling Point：

423.5°C (rough estimate)

Flash Point：

188.2±23.6 °C

Refractive Index：

1.4433 (estimate)

Vapor Pressure：

2.36E-14mmHg at 25°C

Specific rotation：

D17 +19.1° (c = 1.36 in methanol)

Safety Information

Packing level：

Hazard category：

6.1(a)

Transport codes：

UN 3462 6.1/PG 2

wgk germany：

hazard class code：

safety instructions：

RTECS Number：

FH4975000

Marks：

Precautionary statement(s)：

P264-P301 + P310

Hazard Statements：

H300

Drug Information

MeSH Entry Terms：

Digitoxigenin

Digitoxigenin Use and Manufacturing

Uses

Cardiotonic;Na+ K+ ATPase inhibitor

Use Classification：

Lipids -> Sterol Lipids [ST] -> Sterols [ST01] -> Cardanolides and derivatives [ST0112]

Computed Properties

Molecular Weight:374.5
XLogP3:2.6
Hydrogen Bond Donor Count:2
Hydrogen Bond Acceptor Count:4
Rotatable Bond Count:1
Exact Mass:374.24570956
Monoisotopic Mass:374.24570956
Topological Polar Surface Area:66.8
Heavy Atom Count:27
Complexity:686
Defined Atom Stereocenter Count:8
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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CAS No.: 143-62-4

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CAS No.: 143-62-4

Grade: Industrial Grade

Content: 98%

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Learn More Other Chemicals

Digitoxigenin bisdigitoxoside

16479-50-8
Digitoxigenin α-L-cymaroside

31087-88-4
Digitoxigenin 3-acetate

808-19-5
Schaftoside Formula

51938-32-0
3-carboxy-2,3-dideoxy-1-hydroxypropan-1,2,3-tricarboxylic acid Formula

320-77-4
Deoxyarbutin Formula

53936-56-4
Punicalagin Structure

65995-63-3
Phloretin Structure

60-82-2
What is Salvianic acid A

76822-21-4
What is Rhein

478-43-3

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Guide of Digitoxigenin

Description
Basic Attributes
Characteristics
Safety Information
Drug Information
Use and Manufacturing
Computed Properties
Recommended Suppliers
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Digitoxigenin

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