4-((3S,5S,8R,9S,10R,13R,14S,17R)-3,5,14-trihydroxy-10-(hydroxymethyl)-13-methylhexadecahydro-1H-cyclopenta[a]phenanthren-17-yl)furan-2(5H)-one 4-((3S,5S,8R,9S,10R,13R,14S,17R)-3,5,14-三羟基-10-(羟甲基)-13-甲基十六氢-1H-环戊[a]菲-17-基)呋喃-2(5H)-酮

CAS 560-54-3 MFCD00056528

化学结构图

560-54-3
SMILES: C[C@]12CC[C@H]3[C@@H](CC[C@]4(O)C[C@@H](O)CC[C@]34CO)[C@@]1(O)CC[C@@H]2C1=CC(=O)OC1

化学属性

Mol. FormulaC23 H34 O6
Mol. Weight406.51
Melting Point>122°C (dec.)
Boiling Point
Flash Point-

别名和识别编码

Chemical Name4-((3S,5S,8R,9S,10R,13R,14S,17R)-3,5,14-trihydroxy-10-(hydroxymethyl)-13-methylhexadecahydro-1H-cyclopenta[a]phenanthren-17-yl)furan-2(5H)-one
MDL Number-
CAS Number560-54-3
Synonym 3β,5,14,19-Tetrahydroxy-5β,20(22)-cardenolide 5β,20(22)-Cardenolide-3β,5,14,19-tetrol K-Strophanthidol 3β,5,14,19-Tetrahydroxy-5β,20(22)-cardenolide 3β,5,14,19-Tetrahydroxy-5β,20(22)-cardenolide 5β,20(22)-Cardenolide-3β,5,14,19-tetrol K-Strophanthidol 5β,20(22)-Cardenolide-3β,5,14,19-tetrol Card-20(22)-enolide, 3,5,14,19-tetrahydroxy-, (3-beta,5-beta)- K-Strophanthidol Strophanthidol {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {}
PubChem Substance ID258412
EC Number209-211-4
Chemical Name Translation4-((3S,5S,8R,9S,10R,13R,14S,17R)-3,5,14-三羟基-10-(羟甲基)-13-甲基十六氢-1H-环戊[a]菲-17-基)呋喃-2(5H)-酮
Wiswesser Line NotationL E5 B666TJ AVH E1 IQ MQ OQ F- CT5O CUTJ EQ
InChIKeyZNDMLUUNNNHNKC-WOCZMEKDSA-N
InChIInChI=1S/C23H34O6/c1-20-6-3-17-18(4-8-22(27)11-15(25)2-7-21(17,22)13-24)23(20,28)9-5-16(20)14-10-19(26)29-12-14/h10,15-18,24-25,27-28H,2-9,11-13H2,1H3/t15-,16+,17-,18+,20+,21-,22-,23-/m0/s1
Canonical SMILES-
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安全信息

WGK Germany3
GHS Symbol
Precautionary statements
  • P301+P310
  • P261 Avoid breathing dust/fume/gas/mist/vapours/spray. 避免吸入粉尘/烟/气体/烟雾/蒸汽/喷雾。
  • P280 Wear protective gloves/protective clothing/eye protection/face protection. 戴防护手套/防护服/眼睛的保护物/面部保护物。
  • P311 Call a POISON CENTER or doctor/physician. 呼叫解毒中心或医生/医师。
Hazard statements
  • H331 Toxic if inhaled 吸入中毒
  • H311 Toxic in contact with skin 皮肤接触中毒
  • H301 Toxic if swallowed 吞食有毒
RTECSFH5325000
Signal word Danger
Personal Protective Equipment Eyeshields, Faceshields, Gloves, type P2 (EN 143) respirator cartridges
Safety Statements
  • S45 In case of accident or if you feel unwell seek medical advice immediately (show the label where possible) 发生事故时或感觉不适时，立即求医（可能时出示标签）；
Hazard Codes T
Risk Statements
  • R23/24/25 Toxic by inhalation, in contact with skin and if swallowed 吸入，皮肤接触及吞食都有毒
TYPE OF TEST            : LDLo - Lowest published lethal dose
ROUTE OF EXPOSURE       : Intravenous
SPECIES OBSERVED        : Mammal - cat
DOSE/DURATION           : 285 ug/kg
TOXIC EFFECTS :
   Details of toxic effects not reported other than lethal dose value
REFERENCE :
   JPETAB Journal of Pharmacology and Experimental Therapeutics.  (Williams &
   Wilkins Co., 428 E. Preston St., Baltimore, MD 21202)  V.1-    1909/10-
   Volume(issue)/page/year: 90,271,1947

TYPE OF TEST            : LDLo - Lowest published lethal dose
ROUTE OF EXPOSURE       : Unreported
SPECIES OBSERVED        : Mammal - cat
DOSE/DURATION           : 699 ug/kg
TOXIC EFFECTS :
   Details of toxic effects not reported other than lethal dose value
REFERENCE :
   85ELDJ "Die Herzwirksamen Glykoside," Baumgarten, G., and W. Forster,
   Leipzig, Ger. Dem. Rep., VEB Georg Thieme, 1963  Volume(issue)/page/year:
   -,123,1963

Storage condition -20 -20°C -20°C, Inert atmosphere -20℃

系列性分类

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