BREVETOXIN ,98225-48-0 _ChemCD

BREVETOXIN

basic_info
Product_Name：	BREVETOXIN
CAS：	98225-48-0
EnglishSynonyms：	BREVETOXIN
pro_mdlNumber：	MFCD01741876
pro_acceptors：	12
pro_donors：	0
pro_smile：	C[C@@H]1C[C@H]2[C@@H](CC(=O)O2)O[C@H]3C[C@@H]4[C@H](C[C@@H]([C@@H]5[C@@H](O4)C/C=C\C[C@@H]6[C@@H](O5)C/C=C\[C@@H]7[C@@H](O6)CCC[C@@H]8[C@@](O7)(C[C@@H]9[C@@H](O8)C[C@@H]2[C@@H](O9)CC[C@H](O2)CC(=C)C=O)C)C)O[C@@]3(C1)C
InChi：	InChI=1S/C49H70O12/c1-27-19-37-41(23-46(51)58-37)57-45-22-40-42(61-48(45,4)24-27)20-29(3)47-36(55-40)11-7-6-10-31-32(59-47)12-8-14-35-33(53-31)13-9-15-44-49(5,60-35)25-43-39(56-44)21-38-34(54-43)17-16-30(52-38)18-28(2)26-50/h6-8,14,26-27,29-45,47H,2,9-13,15-25H2,1,3-5H3/b7-6-,14-8-/t27-,29+,30+,31-,32+,33+,34+,35-,36+,37+,38-,39+,40-,41-,42+,43-,44-,45+,47-,48-,49+/m1/s1
InChiKey：	InChIKey=FSYYQLUMHHYULB-MRBRYENBSA-N

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