InChI=1S/C21H20O12/c22-6-13-15(26)17(28)19(30)21(33-13)32-11-2-1-7(3-9(11)24)20-18(29)16(27)14-10(25)4-8(23)5-12(14)31-20/h1-5,13,15,17,19,21-26,28-30H,6H2/t13-,15-,17+,19-,21-/m1/s1

【InChIKey】

InChIKey=OIUBYZLTFSLSBY-HMGRVEAOSA-N

【SMILES】

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

【MOL File】

SPIRAEOSIDE.mol

2Chemical and Physical Properties

【Computed Properties】

H bond donor:8

H bond acceptor:12

XLogP3:0.0

Bulk/Fine:F

3Material Safety Data Sheet(MSDS)

4CML File

SPIRAEOSIDE.cml

Quick Release

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20229-56-5 SPIRAEOSIDE

1Identification

【Name】

【CAS】

【MDL】

【English Synonyms】

【Formula】

【MolWeight】

【Inchi】