ROXOLONIUM METILSULFATE ,53862-80-9

ROXOLONIUM METILSULFATE

Basic Information
Product Name：	ROXOLONIUM METILSULFATE
CAS：	53862-80-9
English Synonyms：	ROXOLONIUM METILSULFATE
MDL Number.：	MFCD00868899
H bond acceptor：	5
H bond donor：	1
Smile：	CC1([C@@H]2CC[C@@]3([C@@H]([C@]2(CC[C@@H]1O)C)C(=O)C=C4[C@]3(CC[C@@]5([C@H]4C[C@@](CC5)(C)C(=O)OCC6CCC[N+]6(C)C)C)C)C)C.COS(=O)(=O)[O-]
InChi：	InChI=1S/C37H60NO4.CH4O4S/c1-32(2)28-12-15-37(7)30(35(28,5)14-13-29(32)40)27(39)21-25-26-22-34(4,17-16-33(26,3)18-19-36(25,37)6)31(41)42-23-24-11-10-20-38(24,8)9;1-5-6(2,3)4/h21,24,26,28-30,40H,10-20,22-23H2,1-9H3;1H3,(H,2,3,4)/q+1;/p-1/t24?,26-,28-,29-,30+,33+,34-,35-,36+,37+;/m0./s1
InChiKey：	InChIKey=OFXFYMRNHDKBQX-WKUMGRCGSA-M

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