InChI=1S/C28H47NO4S.C4H4O4/c1-8-26(6)17-22(33-23(31)18-34-16-15-29(9-2)10-3)27(7)19(4)11-13-28(20(5)25(26)32)14-12-21(30)24(27)28;5-3(6)1-2-4(7)8/h8,19-20,22,24-25,32H,1,9-18H2,2-7H3;1-2H,(H,5,6)(H,7,8)/b;2-1+/t19?,20-,22+,24-,25-,26+,27-,28-;/m0./s1

【InChIKey】

InChIKey=YXQXDXAHCSEVSD-IHAONTCTSA-N

【SMILES】

CCN(CC)CCSCC(=O)O[C@@H]1C[C@@]([C@H]([C@@H]([C@@]23CCC([C@@]1([C@@H]2C(=O)CC3)C)C)C)O)(C)C=C.C(=C/C(=O)O)\C(=O)O

【MOL File】

TIAMULIN FUMARATE.mol

2Chemical and Physical Properties

【Computed Properties】

H bond donor:1

H bond acceptor:5

XLogP3:4.0

Bulk/Fine:FB

3Material Safety Data Sheet(MSDS)

4CML File

TIAMULIN FUMARATE.cml

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55297-96-6 TIAMULIN FUMARATE

1Identification

【Name】

【CAS】

【MDL】

【English Synonyms】

【Formula】

【MolWeight】

【Inchi】