InChI=1S/C20H18O11/c21-6-13-15(26)17(28)20(30-13)31-19-16(27)14-11(25)4-8(22)5-12(14)29-18(19)7-1-2-9(23)10(24)3-7/h1-5,13,15,17,20-26,28H,6H2/t13-,15-,17+,20-/m0/s1

【InChIKey】

InChIKey=BDCDNTVZSILEOY-UXYNSRGZSA-N

【SMILES】

c1cc(c(cc1c2c(c(=O)c3c(cc(cc3o2)O)O)O[C@H]4[C@@H]([C@H]([C@@H](O4)CO)O)O)O)O

【MOL File】

AVICULARIN.mol

2Chemical and Physical Properties

【Computed Properties】

H bond donor:7

H bond acceptor:11

XLogP3:0.0

Bulk/Fine:FB

3Material Safety Data Sheet(MSDS)

4CML File

AVICULARIN.cml

Quick Release

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22255-13-6 AVICULARIN

1Identification

【Name】

【CAS】

【MDL】

【English Synonyms】

【Formula】

【MolWeight】

【Inchi】