TETRAHYDROECHINOCANDIN B ,54651-06-8

TETRAHYDROECHINOCANDIN B

Basic Information
Product Name：	TETRAHYDROECHINOCANDIN B
CAS：	54651-06-8
English Synonyms：	TETRAHYDROECHINOCANDIN B
MDL Number.：	MFCD00898848
H bond acceptor：	23
H bond donor：	14
Smile：	CCCCCCCCCCCCCCCCCC(=O)N[C@H]1C[C@H]([C@H](NC(=O)[C@@H]2[C@H]([C@H](CN2C(=O)[C@@H](NC(=O)[C@H](NC(=O)[C@@H]3C[C@H](CN3C(=O)[C@@H](NC1=O)[C@@H](C)O)O)[C@@H]([C@H](c4ccc(cc4)O)O)O)[C@@H](C)O)C)O)O)O
InChi：	InChI=1S/C52H85N7O16/c1-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-38(65)53-35-26-37(64)48(71)57-50(73)42-43(66)29(2)27-59(42)52(75)40(31(4)61)55-49(72)41(45(68)44(67)32-21-23-33(62)24-22-32)56-47(70)36-25-34(63)28-58(36)51(74)39(30(3)60)54-46(35)69/h21-24,29-31,34-37,39-45,48,60-64,66-68,71H,5-20,25-28H2,1-4H3,(H,53,65)(H,54,69)(H,55,72)(H,56,70)(H,57,73)/t29-,30+,31+,34+,35-,36-,37+,39-,40-,41+,42-,43-,44-,45-,48+/m0/s1
InChiKey：	InChIKey=CSFSSKWGOYOSPM-SFNHZBHUSA-N

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