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Gitoxin

Gitoxin structure

CAS No:
4562-36-1
Formula:
C41H64O14
Chemical Name:
Gitoxin
Synonyms:
Card-20(22)-enolide,3-[(O-2,6-dideoxy-β-D-ribo-hexopyranosyl-(1→4)-O-2,6-dideoxy-β-D-ribo-hexopyranosyl-(1→4)-2,6-dideoxy-β-D-ribo-hexopyranosyl)oxy]-14,16-dihydroxy-,(3β,5β,16β)-;Gitoxin;(3β,5β,16β)-3-[(O-2,6-Dideoxy-β-D-ribo-hexopyranosyl-(1→4)-O-2,6-dideoxy-β-D-ribo-hexopyranosyl-(1→4)-2,6-dideoxy-β-D-ribo-hexopyranosyl)oxy]-14,16-dihydroxycard-20(22)-enolide;Anhydrogitalin;Bigitalin;Pseudodigitoxin;Pseudodigitoixn;NSC 95099;27325-23-1;58944-27-7;82476-58-2
Categories:
Biochemical Engineering > Plant Extracts

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Gitoxin Basic Attributes

Molecular Weight：

780.94

Exact Mass：

780.94

EC Number：

224-934-5

NSC Number：

95099

HScode：

29389090

Characteristics

PSA：

203

XLogP3：

2.21810

Density：

1.286 g/cm³

Melting Point：

285 °C (decomp)

Boiling Point：

932ºC at 760 mmHg

Flash Point：

278.6ºC

Refractive Index：

1.602

Water Solubility：

2.343mg/L(temperature not stated)

Specific rotation：

20546 +3.5° (c = 1.02 in pyridine)

Safety Information

Packing level：

III

Hazard category：

6.1(b)

Transport codes：

2811

wgk germany：

hazard class code：

26/27/28

safety instructions：

36/37/39-45

RTECS Number：

LZ0525000

Marks：

T+

Precautionary statement(s)：

Missing Phrase - N15.00950417-P260-P262-P280-P302 + P352 + P310-P304 + P340 + P310

Hazard Statements：

H300 + H310 + H330

GHS Classification：

|Danger|H300 (95%): Fatal if swallowed [Danger Acute toxicity, oral]|P260, P262, P264, P270, P271, P280, P284, P301+P310, P302+P350, P304+P340, P310, P320, P321, P322, P330, P361, P363, P403+P233, P405, and P501|Aggregated GHS information provided by 40 companies from 3 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Gitoxin Use and Manufacturing

cardiotonic

Computed Properties

Molecular Weight:780.9
XLogP3:1.5
Hydrogen Bond Donor Count:6
Hydrogen Bond Acceptor Count:14
Rotatable Bond Count:7
Exact Mass:780.42960671
Monoisotopic Mass:780.42960671
Topological Polar Surface Area:203
Heavy Atom Count:55
Complexity:1450
Undefined Atom Stereocenter Count:21
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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Guide of Gitoxin

Basic Attributes
Characteristics
Safety Information
Use and Manufacturing
Computed Properties
Learn More Other Chemicals

Gitoxin

SDS

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