Merck
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文件

D9404

Sigma-Aldrich

洋地黄毒苷配基

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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
经验公式（希尔记法）:
C23H34O4
CAS号:
143-62-4
分子量:
374.51
Beilstein:
95448
EC 号:
205-603-4
MDL编号:
MFCD00003687
PubChem化学物质编号:
24894291
NACRES:
NA.25

描述

non-ionic

质量水平

200

检测方案

≥97.0% (TLC)

形式

powder

分子量

374.51 g/mol

mp

253 °C (lit.)

SMILES字符串

[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

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

InChI key

XZTUSOXSLKTKJQ-CESUGQOBSA-N

基因信息

rat ... Atp1a1(24211)

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相关类别

一般描述

Digitoxigenin is the aglycone of digitoxin.

应用

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.

象形图

Skull and crossbones
GHS06

警示用语：

Danger

危险声明

H300

危险分类

Acute Tox. 2 Oral

储存分类代码

6.1A - Combustible, acute toxic Cat. 1 and 2 / very toxic hazardous materials

WGK

WGK 3

个人防护装备

Eyeshields, Faceshields, Gloves, type P2 (EN 143) respirator cartridges

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The crystal structure of digitoxigenin, C23H34O4
Isabella Karle and J. Karle
Acta Crystallographica Section B, Structural Crystallography and Crystal Chemistry, B25, 434-434 (1969)
Michael C Roy et al.
Journal of natural products, 68(10), 1494-1499 (2005-10-29)
A series of cardenolides and related compounds have been isolated from the aerial parts and roots of the ornamental milkweed, Asclepias curassavica. Their structures were determined by spectroscopic and chemical methods. Among them, three derivatives of calactinic acid methyl ester
Ingo P Korndörfer et al.
Journal of molecular biology, 330(2), 385-396 (2003-06-26)
DigA16 is an artificial digoxigenin-binding protein, which was derived from the bilin-binding protein, a lipocalin of Pieris brassicae, via reshaping of its natural ligand pocket. Here we report the crystal structures of DigA16 in the presence of either digoxigenin or
M Gobbini et al.
Journal of medicinal chemistry, 44(23), 3821-3830 (2001-11-02)
The synthesis and binding affinities to the digitalis Na(+),K(+)-ATPase receptor of a series of 3 beta,14 beta-dihydroxy-5 beta-androstane and 3 beta-hydroxy-14-oxoseco-D-5 beta-androstane derivatives bearing a 17 alpha-(aminoalkoxy)imino chain are reported; some derivatives were also studied for their inotropic activity. Our
Ming Zhao et al.
Journal of natural products, 70(7), 1098-1103 (2007-06-28)
Four new cardenolide monoglycosides, cardenolides N-1 (1), N-2 (2), N-3 (3), and N-4 (4), were isolated from Nerium oleander, together with two known cardenolides, 5 and 12, and seven cardenolide monoglycosides, 6-11 and 13. The structures of compounds 1-4 were
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