Olean-12-en-28-oic acid, 22-beta-hydroxy-3-oxo-,2-methylcrotonate, (Z)-

CAS 467-81-2 MFCD01710988

化学结构图

467-81-2
SMILES: C/C=C(/C)C(=O)O[C@@H]1CC(C)(C)C[C@H]2C3=CC[C@@H]4[C@@]5(C)CCC(=O)C(C)(C)[C@@H]5CC[C@@]4(C)[C@]3(C)CC[C@]21C(=O)O

化学属性

Mol. FormulaC35H52O5
Mol. Weight552.87

别名和识别编码

Chemical NameOlean-12-en-28-oic acid, 22-beta-hydroxy-3-oxo-,2-methylcrotonate, (Z)-
Synonym Lantadene A 22-((2-Methyl-1-oxo-2-butenyl)oxy)-3-oxo-olean-12-en-28-oic acid, 22-beta-Angeloyloxyoleanolic acid
Wiswesser Line NotationL F6 E6 B666 TV DUTJ A1 H1 H1 JOVY1&U2 KVQ N1 O1 S1S1
CAS Number467-81-2
LabNetwork Molecule IDLN04626640
PubChem Substance ID6436598
InChIInChI=1S/C35H52O5/c1-10-21(2)28(37)40-27-20-30(3,4)19-23-22-11-12-25-32(7)15-14-26(36)31(5,6)24(32)13-16-34(25,9)33(22,8)17-18-35(23,27)29(38)39/h10-11,23-25,27H,12-20H2,1-9H3,(H,38,39)/b21-10-/t23-,24-,25+,27+,32-,33+,34+,35-/m0/s1
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安全信息

RTECSRK0252000 
TYPE OF TEST            : LDLo - Lowest published lethal dose
ROUTE OF EXPOSURE       : Oral
SPECIES OBSERVED        : Mammal - domestic
DOSE/DURATION           : 65 mg/kg
TOXIC EFFECTS :
   Behavioral - food intake (animal)
   Gastrointestinal - decreased motility or constipation
   Liver - jaundice, other or unclassified
REFERENCE :
   AUVJA2 Australian Veterinary Journal.  (Australian Veterinary Assoc.,
   Executive Director, 134-136 Hampden Road, Artarmon, N.S.W., Australia) V.2- 
     1927-  Volume(issue)/page/year: 53,230,1977

系列性分类

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