D9404
洋地黄毒苷配基
别名:
3,14,21-三羟基-20(22)-去甲胆烯酸内酯, 3β,14-二羟基-5β,20(22)-卡烯内酯, 5β,20(22)-卡烯内酯-3β,14-二醇
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经验公式（希尔记法）:
C23H34O4
化学文摘社编号:
分子量:
374.51
UNSPSC Code:
12161900
NACRES:
NA.25
PubChem Substance ID:
EC Number:
205-603-4
Beilstein/REAXYS Number:
95448
MDL number:
InChI key
XZTUSOXSLKTKJQ-CESUGQOBSA-N
InChI
1S/C23H34O4/c1-21-8-5-16(24)12-15(21)3-4-19-18(21)6-9-22(2)17(7-10-23(19,22)26)14-11-20(25)27-13-14/h11,15-19,24,26H,3-10,12-13H2,1-2H3/t15-,16+,17-,18+,19-,21+,22-,23+/m1/s1
SMILES string
[H][C@]12CC[C@]3([H])[C@]([H])(CC[C@]4(C)[C@]([H])(CC[C@]34O)C5=CC(=O)OC5)[C@@]1(C)CC[C@H](O)C2
description
non-ionic
assay
≥97.0% (TLC)
form
powder
mol wt
374.51 g/mol
mp
253 °C (lit.)
Gene Information
rat ... Atp1a1(24211)
General description
Digitoxigenin is the aglycone of digitoxin.
Application
Digitoxigenin has been used in a study to assess its stereochemical effects in cancer cytotoxicity. It has also been used in a study to investigate the advantage of gold(I)-catalyzed glycosidation of glycosyl o-alkyl benzoates to assemble digitoxin.
signalword
Danger
hcodes
Hazard Classifications
Acute Tox. 2 Oral
存储类别
6.1A - Combustible acute toxic Cat. 1 and 2 / very toxic hazardous materials
wgk
WGK 3
ppe
Eyeshields, Faceshields, Gloves, type P2 (EN 143) respirator cartridges
Maoquan Zhou et al.
Organic letters, 8(19), 4339-4342 (2006-09-08)
A convergent and stereocontrolled route to trisaccharide natural product digitoxin has been developed. The route is amenable to the preparation of both the digitoxigen mono- and bisdigitoxoside. This route featured the iterative application of the palladium-catalyzed glycosylation reaction, reductive 1,3-transposition
A Babes et al.
Biophysical journal, 79(5), 2557-2571 (2000-10-29)
We have used admittance analysis together with the black lipid membrane technique to analyze electrogenic reactions within the Na(+) branch of the reaction cycle of the Na(+)/K(+)-ATPase. ATP release by flash photolysis of caged ATP induced changes in the admittance
T Warashina et al.
Chemical & pharmaceutical bulletin, 48(4), 516-524 (2000-04-27)
Twenty-nine new oxypregnane glycosides were obtained along with two known cardenolides, frugoside and gofruside, and three known 12-O-acylated pregnane glycosides from the roots of Asclepias incarnata L. (Asclepiadaceae). By detailed studies of the 1H- and 13C-NMR spectra, the structures were
P De Weer et al.
The Journal of general physiology, 117(4), 315-328 (2001-03-30)
The steady-state voltage and [Na(+)](o) dependence of the electrogenic sodium pump was investigated in voltage-clamped internally dialyzed giant axons of the squid, Loligo pealei, under conditions that promote the backward-running mode (K(+)-free seawater; ATP- and Na(+)-free internal solution containing ADP
The crystal structure of digitoxigenin, C23H34O4
Isabella Karle and J. Karle
Acta Crystallographica Section B, Structural Crystallography and Crystal Chemistry, B25, 434-434 (1969)
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