(3S,6S,7R,7aR,8R,9R,10S,11S,11aR,13R,14R)-11a-Acetoxy-9,11-dihydroxy-6,10,13-trimethoxy-3-(methoxymethyl)-1-methyltetradecahydro-2H-3,6a,12-(epiethane[1,1,2]triyl)-7,9-methanonaphtho[2,3-b]azocin-8-yl benzoate (3S,6S,7R,7aR,8R,9R,10S,11S,11aR,13R,14R)-11a-乙酰氧基-9,11-二羟基-6,10,13-三甲氧基-3-(甲氧基甲基)-1-甲基十四氢-2H-3,6a,12-(epiethane[1,1,2]三基)-7,9-甲桥萘并[2,3-b]吖辛因-8-基 苯甲酸酯

CAS 6900-87-4 MFCD00221744

化学结构图

6900-87-4
SMILES: COCC12CCC(OC)C34C5CC6(O)C(OC)C(O)C(OC(C)=O)(C5C6OC(=O)c5ccccc5)C(C(OC)C13)C4N(C)C2

化学属性

Mol. FormulaC33 H45 N O10
Mol. Weight615.71
Melting Point170-174°C
Boiling Point
Flash Point-

别名和识别编码

Chemical Name(3S,6S,7R,7aR,8R,9R,10S,11S,11aR,13R,14R)-11a-Acetoxy-9,11-dihydroxy-6,10,13-trimethoxy-3-(methoxymethyl)-1-methyltetradecahydro-2H-3,6a,12-(epiethane[1,1,2]triyl)-7,9-methanonaphtho[2,3-b]azocin-8-yl benzoate
Synonym (1,6,14,15,16)1,6,16-Trimethoxy-4-(methoxymethyl)-20-methylaconitane-8,13,14,15-tetrol 8-Acetate 14-Benzoate (1α,6α,14α,15α,16β)1,6,16-Trimethoxy-4-(methoxymethyl)-20-methylaconitane-8,13,14,15-tetrol 8-Acetate 14-Benzoate Hypaconitine
Chemical Name Translation(3S,6S,7R,7aR,8R,9R,10S,11S,11aR,13R,14R)-11a-乙酰氧基-9,11-二羟基-6,10,13-三甲氧基-3-(甲氧基甲基)-1-甲基十四氢-2H-3,6a,12-(epiethane[1,1,2]三基)-7,9-甲桥萘并[2,3-b]吖辛因-8-基 苯甲酸酯
CAS Number6900-87-4
InChIKeyFIDOCHXHMJHKRW-BXVLNYEOSA-N
LabNetwork Molecule IDLN01343193
PubChem Substance ID441737
InChIInChI=1S/C33H45NO10/c1-17(35)44-33-21-19(14-31(38,28(42-6)26(33)36)27(21)43-29(37)18-10-8-7-9-11-18)32-20(40-4)12-13-30(16-39-3)15-34(2)25(32)22(33)23(41-5)24(30)32/h7-11,19-28,36,38H,12-16H2,1-6H3/t19-,20+,21-,22+,23+,24-,25?,26+,27-,28+,30+,31-,32+,33-/m1/s1
MDL Number-
Canonical SMILES-
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安全信息

GHS Symbol
Safety Statements
  • S24/25 Avoid contact with skin and eyes 避免皮肤和眼睛接触；
RTECSAR5565000 
TYPE OF TEST            : LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE       : Oral
SPECIES OBSERVED        : Rodent - mouse
DOSE/DURATION           : 5800 ug/kg
TOXIC EFFECTS :
   Details of toxic effects not reported other than lethal dose value
REFERENCE :
   JOETD7 Journal of Ethnopharmacology.  (Elsevier Scientific Pub. Ireland
   Ltd., POB 85, Limerick, Ireland)  V.1-    1979-  Volume(issue)/page/year:
   4,247,1981

TYPE OF TEST            : LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE       : Intraperitoneal
SPECIES OBSERVED        : Rodent - mouse
DOSE/DURATION           : 1010 ug/kg
TOXIC EFFECTS :
   Details of toxic effects not reported other than lethal dose value
REFERENCE :
   CYLPDN Zhongguo Yaoli Xuebao.  Acta Pharmacologica Sinica.  Chinese Journal
   of Pharmacology.  (China International Book Trading Corp., POB 2820,
   Beijing, Peop. Rep. China)  V.1-    1980-  Volume(issue)/page/year:
   2,170,1981

TYPE OF TEST            : LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE       : Intravenous
SPECIES OBSERVED        : Rodent - mouse
DOSE/DURATION           : 470 ug/kg
TOXIC EFFECTS :
   Details of toxic effects not reported other than lethal dose value
REFERENCE :
   JOETD7 Journal of Ethnopharmacology.  (Elsevier Scientific Pub. Ireland
   Ltd., POB 85, Limerick, Ireland)  V.1-    1979-  Volume(issue)/page/year:
   4,247,1981

TYPE OF TEST            : LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE       : Subcutaneous
SPECIES OBSERVED        : Rodent - mouse
DOSE/DURATION           : 1900 ug/kg
TOXIC EFFECTS :
   Behavioral - ataxia
   Lungs, Thorax, or Respiration - other changes
REFERENCE :
   JOETD7 Journal of Ethnopharmacology.  (Elsevier Scientific Pub. Ireland
   Ltd., POB 85, Limerick, Ireland)  V.1-    1979-  Volume(issue)/page/year:
   35,159,1991

WGK Germany2
Precautionary statements
  • P262 Do not get in eyes, on skin, or on clothing. 不要接触眼睛，皮肤或衣服。
Storage condition +4°C 4 4°C

系列性分类

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