3-Acetyl-12-dehydrodigoxigenin

CAS 2842-86-6 MFCD N/A

化学结构图

2842-86-6
SMILES: CC(=O)OC1CCC2(C)C(CCC3C2CC(=O)C2(C)C(C4=CC(=O)OC4)CCC32O)C1

化学属性

Mol. FormulaC25H34O6
Mol. Weight430.59

别名和识别编码

Wiswesser Line NotationL E5 B666 DVTJ A1 E1 IQ OOV1 F- DT5OV EHJ
Chemical Name5-beta-Card-20(22)-enolide, 3-beta,14-dihydroxy-12-oxo-, 3-acetate
Synonym 3-Acetyl-12-dehydrodigoxigenin 3-beta,14-Dihydroxy-12-oxo-5-beta-card-20(22)-enolide 3-acetate
CAS Number2842-86-6
Beilstein Registry Number0063744
InChIKeySZLQWLYPPPPWKF-GEVRZZSESA-N
PubChem Substance ID17829
InChIInChI=1S/C25H34O6/c1-14(26)31-17-6-8-23(2)16(11-17)4-5-19-20(23)12-21(27)24(3)18(7-9-25(19,24)29)15-10-22(28)30-13-15/h10,16-20,29H,4-9,11-13H2,1-3H3/t16-,17+,18-,19?,20?,23+,24+,25+/m1/s1
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安全信息

RTECSFH4998000 
TYPE OF TEST            : LDLo - Lowest published lethal dose
ROUTE OF EXPOSURE       : Parenteral
SPECIES OBSERVED        : Bird - pigeon
DOSE/DURATION           : 9300 ug/kg
TOXIC EFFECTS :
   Details of toxic effects not reported other than lethal dose value
REFERENCE :
   CPBTAL Chemical and Pharmaceutical Bulletin.  (Japan Pub. Trading Co., USA,
   1255 Howard St., San Francisco, CA 94103)  V.6-    1958-
   Volume(issue)/page/year: 8,18,1960

系列性分类

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