(5beta)-12,beta,14-Dihydroxy-3-oxocard-20(22)-enolide

CAS 4442-17-5 MFCD04442175

化学结构图

4442-17-5
SMILES: CC12CCC(=O)CC1CCC1C2CC(O)C2(C)C(C3=CC(=O)OC3)CCC12O

化学属性

Mol. Weight388.55
Mol. FormulaC23H32O5

别名和识别编码

Wiswesser Line NotationL E5 B666 OVTJ A1 E1 DQ IQ F- DT5OV EHJ
Chemical Name5-beta-Card-20(22)-enolide, 12-beta,14-dihydroxy-3-oxo-
Synonym 3-Oxodigoxigenin 3-Dehydrodigoxigenin 3-Ketodigoxigenin Card-20(22)-enolide, 12,14-dihydroxy-3-oxo-, (5-beta,12-beta)- 12-beta,14-Dihydroxy-3-oxo-5-beta-card-20(22)-enolide
CAS Number4442-17-5
Chemicalbook IDCB0891536
InChIKeyPOWMMMXVDBMFMP-IYGQVCONSA-N
Chemical Name Translation
PubChem Substance ID20503
InChIInChI=1S/C23H32O5/c1-21-7-5-15(24)10-14(21)3-4-17-18(21)11-19(25)22(2)16(6-8-23(17,22)27)13-9-20(26)28-12-13/h9,14,16-19,25,27H,3-8,10-12H2,1-2H3/t14-,16-,17?,18?,19-,21+,22+,23+/m1/s1
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安全信息

RTECSFH4996000 
TYPE OF TEST            : LDLo - Lowest published lethal dose
ROUTE OF EXPOSURE       : Parenteral
SPECIES OBSERVED        : Bird - pigeon
DOSE/DURATION           : 4940 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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