MYCOHEPTIN ,12609-89-1 _Chemical Cloud Database

MYCOHEPTIN

Basic Information
Product Name：	MYCOHEPTIN
CAS：	12609-89-1
English Synonyms：	MYCOHEPTIN
MDL Number.：	MFCD01939338
H bond acceptor：	18
H bond donor：	11
Smile：	C[C@H]1/C=C/C=C/C=C/C=C/C=C/C=C/C=C/[C@@H](C[C@H]2[C@@H]([C@H](C[C@](O2)(C[C@H](C(CCC(CC(=O)C[C@H](CC(=O)O[C@H]([C@@H]([C@@H]1O)C)C)O)O)O)O)O)O)C(=O)O)O[C@H]3[C@H]([C@H]([C@@H]([C@H](O3)C)O)N)O
InChi：	InChI=1S/C47H71NO17/c1-27-17-15-13-11-9-7-5-6-8-10-12-14-16-18-34(64-46-44(58)41(48)43(57)30(4)63-46)24-38-40(45(59)60)37(54)26-47(61,65-38)25-36(53)35(52)20-19-31(49)21-32(50)22-33(51)23-39(55)62-29(3)28(2)42(27)56/h5-18,27-31,33-38,40-44,46,49,51-54,56-58,61H,19-26,48H2,1-4H3,(H,59,60)/b6-5+,9-7+,10-8+,13-11+,14-12+,17-15+,18-16+/t27-,28-,29-,30+,31?,33+,34-,35?,36+,37-,38-,40+,41-,42+,43+,44-,46-,47+/m0/s1
InChiKey：	InChIKey=GXLOOVOKGBOVIH-YAVQUXKESA-N

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