Cevane-3,4,12,14,16,17,20-heptol, 4,9-epoxy-, monobenzoate (ester) 3-(2-methyl-2-butenoate)

CAS 1301-64-0 MFCD01301640

化学结构图

1301-64-0
SMILES: CC(C(=O)O)=C(C)c1cccc(C(=O)OC2CCC3(C)C4CCC5C6(O)CC(O)C7C(CN8CC(C)CCC8C7(C)O)C6(O)CC53OC24O)c1

化学属性

Mol. Weight695.93
Mol. FormulaC39H53NO10

别名和识别编码

Synonym Benzoylcevadine 4,9-Epoxycevane-3,4,12,14,16,17,20-heptol monobenzoate (ester)
Chemical NameCevane-3,4,12,14,16,17,20-heptol, 4,9-epoxy-, monobenzoate (ester) 3-(2-methyl-2-butenoate)
CAS Number1301-64-0
InChIKeyXKXQJLBOJWMPPK-ONEAYXJBSA-N
PubChem Substance ID3035318
InChIInChI=1S/C39H53NO10/c1-20-9-12-29-35(5,45)31-25(18-40(29)17-20)37(47)19-38-28(36(37,46)16-26(31)41)11-10-27-34(38,4)14-13-30(39(27,48)50-38)49-33(44)24-8-6-7-23(15-24)21(2)22(3)32(42)43/h6-8,15,20,25-31,41,45-48H,9-14,16-19H2,1-5H3,(H,42,43)/b22-21+/t20-,25+,26?,27?,28?,29-,30?,31?,34-,35+,36?,37?,38?,39?/m0/s1
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安全信息

RTECSFL5603000 
TYPE OF TEST            : LDLo - Lowest published lethal dose
ROUTE OF EXPOSURE       : Unreported
SPECIES OBSERVED        : Amphibian - frog
DOSE/DURATION           : >303 mg/kg
TOXIC EFFECTS :
   Details of toxic effects not reported other than lethal dose value
REFERENCE :
   BDCGAS Berichte der Deutschen Chemischen Gesellschaft.  (Leipzig, Ger. Dem.
   Rep.)  V.1-61, 1868-1928. For publisher information, see CHBEAM.
   Volume(issue)/page/year: 37,1946,1904

系列性分类

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