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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关于此项目
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:
description
non-ionic
assay
≥97.0% (TLC)
form
powder
mol wt
374.51 g/mol
mp
253 °C (lit.)
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
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
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