InChI=1S/C27H30O17.ClH/c28-6-16-19(34)21(36)23(38)26(43-16)41-14-4-9(30)3-13-10(14)5-15(25(40-13)8-1-11(31)18(33)12(32)2-8)42-27-24(39)22(37)20(35)17(7-29)44-27;/h1-5,16-17,19-24,26-29,34-39H,6-7H2,(H3-,30,31,32,33);1H/t16-,17-,19-,20-,21+,22+,23-,24-,26-,27-;/m1./s1

【InChIKey】

InChIKey=HKHQPWJHAKAMGC-LYQFWTOWSA-N

【SMILES】

c1c(cc(c(c1O)O)O)c2c(cc3c([o+]2)cc(cc3O[C@H]4[C@@H]([C@H]([C@@H]([C@H](O4)CO)O)O)O)O)O[C@H]5[C@@H]([C@H]([C@@H]([C@H](O5)CO)O)O)O.[Cl-]

【MOL File】

DELPHIN.mol

2Chemical and Physical Properties

【Computed Properties】

H bond donor:12

H bond acceptor:17

XLogP3:-2.0

Bulk/Fine:F

3Material Safety Data Sheet(MSDS)

4CML File

DELPHIN.cml

Quick Release

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17670-06-3 DELPHIN

1Identification

【Name】

【CAS】

【MDL】

【English Synonyms】

【Formula】

【MolWeight】

【Inchi】