APLYSIATOXIN ,52659-57-1 _Chemical Cloud Database

APLYSIATOXIN

Basic Information
Product Name：	APLYSIATOXIN
CAS：	52659-57-1
English Synonyms：	APLYSIATOXIN
MDL Number.：	MFCD01664579
H bond acceptor：	10
H bond donor：	3
Smile：	C[C@@H]1CC([C@@]23C[C@@H]([C@@H]([C@H](O2)[C@@H](C)CC[C@@H](c4cc(ccc4Br)O)OC)C)OC(=O)C[C@@H](OC(=O)C[C@@]1(O3)O)[C@@H](C)O)(C)C
InChi：	InChI=1S/C32H47BrO10/c1-17(8-11-24(39-7)22-12-21(35)9-10-23(22)33)29-19(3)26-15-32(42-29)30(5,6)14-18(2)31(38,43-32)16-28(37)40-25(20(4)34)13-27(36)41-26/h9-10,12,17-20,24-26,29,34-35,38H,8,11,13-16H2,1-7H3/t17-,18+,19-,20+,24-,25+,26-,29+,31-,32-/m0/s1
InChiKey：	InChIKey=RHJPBGWFGOAEID-BEDNPZBZSA-N

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