Flavaspidic acid

CAS 114-42-1 MFCD01737539

化学结构图

114-42-1
SMILES: CCCC(=O)C1=C(O)C(C)(C)C(O)=C(Cc2c(O)c(C)c(O)c(C(=O)CCC)c2O)C1=O

化学属性

Mol. FormulaC24H30O8
Mol. Weight446.54

别名和识别编码

Chemical NameButyrophenone,3'-((5-butyryl-2,4-dihydroxy-3,3-dimethyl-6-oxo-1,4-cyclohexadien-1-yl)methyl)-2',4',6'-trihydroxy-5'-methyl-
Synonym 2,5-Cyclohexadien-1-one, 3,5-dihydroxy-4,4-dimethyl-2-(1-oxobutyl)-6-[[2,4,6-trihydroxy-3-methyl-5-(1-oxobutyl)phenyl]methyl]- Butyrophenone, 3'-[(5-butyryl-2,4-dihydroxy-3,3-dimethyl-6-oxo-1,4-cyclohexadien-1-yl)methyl]-2',4',6'-trihydroxy-5'-methyl- Flavaspidic acid Flavaspidic acid BB Flavaspidsaeure Flavaspidsäure Glavaspidic acid Polystichocitrin Toxifren flavaspidic acid α- Flavaspidic acid
Wiswesser Line NotationL6V DHJ BV3 CQ D1 D1 EQ F1R BQ DQ FQ C1 EV3
CAS Number114-42-1
Beilstein Registry Number2068481
PubChem Substance ID8237
InChIInChI=1S/C24H30O8/c1-6-8-14(25)16-19(28)11(3)18(27)12(20(16)29)10-13-21(30)17(15(26)9-7-2)23(32)24(4,5)22(13)31/h27-31H,6-10H2,1-5H3
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分类

  • {uni_hamburg} no charge; carbocycle; aromatic; alicycle; 6RingOnly; 6ring; ketone; alcohol; 1fragment

相关文献及参考

  • Short: III/10b Title: Structure Data of Organic Crystals: C 16 ... C 168 Author: Schudt-Weitz, G.; Strell, I. Editor: Hellwege, K.-H.; Hellwege, A.M. Source: Landolt-Börnstein, New Series Volume: III/10b Year: 1985 ISBN: 3-540-13932-X ISBN: 978-3-540-13932-4 Internet Resource: DOI:10.1007/b19985 RefComment: XIX,652 pages. Hardcover

安全信息

RTECSEU1400000 
TYPE OF TEST            : LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE       : Oral
SPECIES OBSERVED        : Rodent - mouse
DOSE/DURATION           : 690 mg/kg
TOXIC EFFECTS :
   Details of toxic effects not reported other than lethal dose value
REFERENCE :
   APTOA6 Acta Pharmacologica et Toxicologica.  (Copenhagen, Denmark)  V.1-59,
   1945-86.  For publisher information, see PHTOEH  Volume(issue)/page/year:
   25,33,1967

TYPE OF TEST            : LDLo - Lowest published lethal dose
ROUTE OF EXPOSURE       : Unreported
SPECIES OBSERVED        : Amphibian - frog
DOSE/DURATION           : 40 mg/kg
TOXIC EFFECTS :
   Details of toxic effects not reported other than lethal dose value
REFERENCE :
   AEXPBL Archiv fuer Experimentelle Pathologie und Pharmakologie.  (Leipzig,
   Ger. Dem. Rep.)  V.1-109, 1873-1925.  For publisher information, see NSAPCC.
    Volume(issue)/page/year: 47,1,1902

TYPE OF TEST            : LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE       : Intravenous
SPECIES OBSERVED        : Rodent - mouse
DOSE/DURATION           : 94 mg/kg
TOXIC EFFECTS :
   Details of toxic effects not reported other than lethal dose value
REFERENCE :
   JPMSAE Journal of Pharmaceutical Sciences.  (American Pharmaceutical Assoc.,
   2215 Constitution Ave., NW, Washington, DC 20037)  V.50-    1961-
   Volume(issue)/page/year: 54,1362,1965

系列性分类

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