HALICHONDRIN B ,103614-76-2 _ChemCD

HALICHONDRIN B

basic_info
Product_Name：	HALICHONDRIN B
CAS：	103614-76-2
EnglishSynonyms：	HALICHONDRIN B ; HALICHONDRIN A,12,13-DIDEOXY-
pro_mdlNumber：	MFCD09837733
pro_acceptors：	19
pro_donors：	3
pro_smile：	C[C@@H]1C[C@@H]2CC[C@H]3C(=C)C[C@@H](O3)CC[C@]45C[C@@H]6[C@H](O4)[C@H]7[C@@H](O6)[C@@H](O5)[C@@H]8[C@@H](O7)CC[C@@H](O8)CC(=O)O[C@@H]9C[C@H]3[C@H](C[C@@H]4[C@H](O3)C[C@@]3(O4)C[C@H]4[C@@H](O3)[C@H](C[C@]3(O4)C[C@@H]([C@H]4[C@@H](O3)C[C@H](O4)[C@H](C[C@H](CCO)O)O)C)C)O[C@H]9C[C@H](C1=C)O2
InChi：	InChI=1S/C60H86O19/c1-27-14-33-6-8-37-28(2)15-35(65-37)10-12-58-25-48-54(78-58)55-56(73-48)57(79-58)53-38(71-55)9-7-34(67-53)17-50(64)70-44-20-42-43(68-41(44)18-39(66-33)31(27)5)21-45-47(69-42)24-60(74-45)26-49-52(77-60)30(4)23-59(76-49)22-29(3)51-46(75-59)19-40(72-51)36(63)16-32(62)11-13-61/h27,29-30,32-49,51-57,61-63H,2,5-26H2,1,3-4H3/t27-,29+,30+,32+,33+,34-,35+,36+,37+,38+,39-,40+,41+,42+,43+,44-,45-,46+,47-,48-,49+,51+,52+,53+,54+,55+,56-,57+,58+,59-,60+/m1/s1
InChiKey：	InChIKey=UIWVENXDOIQFPU-DVEDMPEWSA-N

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