490-54-0
MARITIMEIN
Name
MARITIMEIN
pro_formula
C21 H20 O11
pro_molWeight
448.378
1Identification
【Name】
MARITIMEIN
【CAS】
【MDL】
MFCD00017413
【中文同义词】
【EnglishSynonyms】
【pro_formula】
C21 H20 O11
【pro_molWeight】
448.378
【Inchi】
InChI=1S/C21H20O11/c22-7-14-16(26)18(28)19(29)21(32-14)31-12-4-2-9-15(25)13(30-20(9)17(12)27)6-8-1-3-10(23)11(24)5-8/h1-6,14,16,18-19,21-24,26-29H,7H2/b13-6-/t14-,16-,18+,19-,21-/m1/s1
【InChIKey】
InChIKey=SYRURBPRFQUYQS-RHEJLWEFSA-N
【SMILES】
c1cc(c(cc1/C=C\2/C(=O)c3ccc(c(c3O2)O)O[C@H]4[C@@H]([C@H]([C@@H]([C@H](O4)CO)O)O)O)O)O
【MOL File】
2ChemicalProperties
【ComputedProperties】
pro_donors:7
pro_acceptors:11
XLogP3:0.0
Bulk/Fine:FB
3MaterialMSDS
4CMLFile
MARITIMEIN.cml
quick_release
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