PECTENOTOXIN 2 ,97564-91-5 _Chemical Cloud Database

PECTENOTOXIN 2

Basic Information
Product Name：	PECTENOTOXIN 2
CAS：	97564-91-5
English Synonyms：	PECTENOTOXIN 2
MDL Number.：	MFCD08690489
H bond acceptor：	14
H bond donor：	3
Smile：	C[C@@H]1CCO[C@@]([C@@H]1O)([C@@H]2C[C@@H]3[C@H](O2)/C=C/C(=C/[C@@H](C[C@]4(CC[C@@H](O4)[C@]56CC[C@](O5)(C[C@@H](O6)[C@@H]7C(=O)C[C@@](O7)([C@H]([C@@H]8CC[C@@]9(O8)CCC[C@H](O9)[C@H](C(=O)O3)C)O)C)C)C)C)/C)O
InChi：	InChI=1S/C47H70O14/c1-26-10-11-32-34(22-37(54-32)47(52)39(49)28(3)14-20-53-47)55-41(51)29(4)31-9-8-15-45(56-31)17-12-33(57-45)40(50)44(7)24-30(48)38(60-44)35-25-43(6)18-19-46(58-35,61-43)36-13-16-42(5,59-36)23-27(2)21-26/h10-11,21,27-29,31-40,49-50,52H,8-9,12-20,22-25H2,1-7H3/b11-10+,26-21+/t27-,28+,29+,31-,32+,33-,34+,35+,36+,37-,38-,39+,40-,42+,43-,44+,45-,46-,47+/m0/s1
InChiKey：	InChIKey=PTKFEDGHUVZLPL-GBRWWGMBSA-N

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