Convallamarin

CAS 1391-12-4 MFCD01391124

化学结构图

1391-12-4
SMILES: C=C(CCC1(O)OC2CC3C4CCC5CC(OC6OC(C)C(OC7OC(CO)C(O)C(O)C7O)C(O)C6O)CC(OC6OC(C)C(OC7OC(C)C(O)C(O)C7O)C(O)C6O)C5(C)C4CCC3C2(C)C1C)COC1OC(CO)C(O)C(O)C1O

化学属性

Mol. Weight903.14
Mol. FormulaC44H70O19

别名和识别编码

Wiswesser Line NotationT F5 E5 B666 HXOTJ A E G RQ TQ H-& AT6XO DYTJ DU1
Chemical NameConvallamarin
CAS Number1391-12-4
InChIKeyOYWZJMOUZKQCFZ-DGYUCRCOSA-N
PubChem Substance ID71300961
InChIInChI=1S/C57H94O27/c1-20(19-74-50-43(68)39(64)36(61)31(17-58)79-50)12-13-57(73)24(5)55(6)30-11-10-29-27(28(30)16-34(55)84-57)9-8-25-14-26(78-51-46(71)41(66)49(22(3)76-51)83-54-45(70)40(65)37(62)32(18-59)80-54)15-33(56(25,29)7)81-52-47(72)42(67)48(23(4)77-52)82-53-44(69)38(63)35(60)21(2)75-53/h21-54,58-73H,1,8-19H2,2-7H3/t21-,22-,23-,24+,25?,26-,27?,28?,29?,30?,31-,32-,33-,34?,35+,36+,37-,38-,39+,40+,41+,42+,43-,44-,45-,46-,47-,48-,49?,50?,51?,52?,53-,54+,55+,56+,57-/m1/s1
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安全信息

RTECSGL3325000 
TYPE OF TEST            : LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE       : Oral
SPECIES OBSERVED        : Rodent - rabbit
DOSE/DURATION           : 320 mg/kg
TOXIC EFFECTS :
   Details of toxic effects not reported other than lethal dose value
REFERENCE :
   85JCAE "Prehled Prumyslove Toxikologie; Organicke Latky," Marhold, J.,
   Prague, Czechoslovakia, Avicenum, 1986  Volume(issue)/page/year: -,1376,1986

TYPE OF TEST            : LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE       : Intraperitoneal
SPECIES OBSERVED        : Rodent - rat
DOSE/DURATION           : 4900 ug/kg
TOXIC EFFECTS :
   Details of toxic effects not reported other than lethal dose value
REFERENCE :
   PSEBAA Proceedings of the Society for Experimental Biology and Medicine.
   (Academic Press, Inc., 1 E. First St., Duluth, MN 55802)  V.1-    1903/04-
   Volume(issue)/page/year: 114,509,1963

TYPE OF TEST            : LDLo - Lowest published lethal dose
ROUTE OF EXPOSURE       : Oral
SPECIES OBSERVED        : Mammal - cat
DOSE/DURATION           : 130 mg/kg
TOXIC EFFECTS :
   Details of toxic effects not reported other than lethal dose value
REFERENCE :
   FARMA8 Farmacognosia.  (Madrid, Spain)  V.1-27, 1942-62.  Discontinued.
   Volume(issue)/page/year: 13,375,1953

TYPE OF TEST            : LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE       : Intravenous
SPECIES OBSERVED        : Rodent - rat
DOSE/DURATION           : >200 mg/kg
TOXIC EFFECTS :
   Details of toxic effects not reported other than lethal dose value
REFERENCE :
   ARZNAD Arzneimittel-Forschung. Drug Research.  (Editio Cantor Verlag,
   Postfach 1255, W-7960 Aulendorf, Fed. Rep. Ger.)  V.1-    1951-
   Volume(issue)/page/year: 10,263,1960

TYPE OF TEST            : LDLo - Lowest published lethal dose
ROUTE OF EXPOSURE       : Intravenous
SPECIES OBSERVED        : Mammal - cat
DOSE/DURATION

系列性分类

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