InChI=1S/C21H20O9/c1-7-3-10-14(12(22)4-7)18(26)15-11(17(10)25)5-9(6-13(15)23)30-21-20(28)19(27)16(24)8(2)29-21/h3-6,8,16,19-24,27-28H,1-2H3/t8-,16-,19+,20+,21-/m0/s1

【InChIKey】

InChIKey=DTTVUKLWJFJOHO-FUCRAMRQSA-N

【SMILES】

Cc1cc2c(c(c1)O)C(=O)c3c(cc(cc3O)O[C@H]4[C@@H]([C@@H]([C@H]([C@@H](O4)C)O)O)O)C2=O

【MOL File】

FRANGULIN A.mol

2Chemical and Physical Properties

【Computed Properties】

H bond donor:5

H bond acceptor:9

XLogP3:2.0

Bulk/Fine:F

3Material Safety Data Sheet(MSDS)

4CML File

FRANGULIN A.cml

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521-62-0 FRANGULIN A

1Identification

【Name】

【CAS】

【MDL】

【English Synonyms】

【Formula】

【MolWeight】

【Inchi】