TOMATINE ,17406-45-0 _Chemical Cloud Database

TOMATINE

Basic Information
Product Name：	TOMATINE
CAS：	17406-45-0
English Synonyms：	LYCOPERISCIN TLC ; 22S,25S,5ALPHA-TOMATANIN-3BETA-OL 3-O-BETA-D-GLUCOPYRANOSYL-(1->2)-O-BETA-D-[3-O-BETA-D-XYLOPYRANOSYL GLUCOPYRANOSYL]-(1->4)-O-BETA-D-GALACTOPYRANOSIDE ; LYCOPERSICIN ; ALPHA-TOMATINE ; LYCOPERISCIN ; TOMATIN ; TOMATINE ; LYOCPERSICIN
MDL Number.：	MFCD00016888
H bond acceptor：	22
H bond donor：	13
Smile：	C[C@H]1CCC2([C@H]([C@H]3[C@@H](O2)C[C@@H]4[C@@]3(CC[C@H]5[C@H]4CC[C@@H]6[C@@]5(CC[C@@H](C6)O[C@H]7[C@@H]([C@H]([C@H]([C@H](O7)CO)O[C@H]8[C@@H]([C@H]([C@@H]([C@H](O8)CO)O)O[C@H]9[C@@H]([C@H]([C@@H](CO9)O)O)O)O[C@H]2[C@@H]([C@H]([C@@H]([C@H](O2)CO)O)O)O)O)O)C)C)C)NC1
InChi：	InChI=1S/C50H83NO21/c1-20-7-12-50(51-15-20)21(2)32-28(72-50)14-26-24-6-5-22-13-23(8-10-48(22,3)25(24)9-11-49(26,32)4)65-45-40(63)37(60)41(31(18-54)68-45)69-47-43(71-46-39(62)36(59)34(57)29(16-52)66-46)42(35(58)30(17-53)67-47)70-44-38(61)33(56)27(55)19-64-44/h20-47,51-63H,5-19H2,1-4H3/t20-,21-,22-,23-,24+,25-,26-,27+,28-,29+,30+,31+,32-,33-,34+,35+,36-,37+,38+,39+,40+,41-,42-,43+,44-,45+,46-,47-,48-,49-,50?/m0/s1
InChiKey：	InChIKey=REJLGAUYTKNVJM-LNBPWHMUSA-N
Property
Comments：	FOR CHOLESTEROL ASSAY
Safety information

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