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D-myo-Inositol, 5-O-b-D-xylopyranosyl-,4-[(6S,7R,8S,8aR)-6'-bromo-1,1',2',3,4,6,8,8a,9,10-decahydro-6-hydroxy-6-methyl-2,2',4-trioxospiro[cyclopenta[e]pyrimido[4,5-b][1,4]diazepine-7(2H),3'-[3H]indole]-8-carboxylate](9CI) (80680-43-9)

Identification
Name:D-myo-Inositol, 5-O-b-D-xylopyranosyl-,4-[(6S,7R,8S,8aR)-6'-bromo-1,1',2',3,4,6,8,8a,9,10-decahydro-6-hydroxy-6-methyl-2,2',4-trioxospiro[cyclopenta[e]pyrimido[4,5-b][1,4]diazepine-7(2H),3'-[3H]indole]-8-carboxylate](9CI)
Synonyms:D-myo-Inositol,5-O-b-D-xylopyranosyl-,4-(6'-bromo-1,1',2',3,4,6,8,8a,9,10-decahydro-6-hydroxy-6-methyl-2,2',4-trioxospiro[cyclopenta[e]pyrimido[4,5-b][1,4]diazepine-7(2H),3'-[3H]indole]-8-carboxylate),[6S-(6a,7a,8a,8aa)]-;Spiro[cyclopenta[e]pyrimido[4,5-b][1,4]diazepine-7(2H),3'-[3H]indole],D-myo-inositol deriv.; Neosurugatoxin
CAS:80680-43-9
Molecular Formula: C30H34 Br N5 O15
Molecular Weight: 0
InChI: InChI=1/C30H34BrN5O15/c1-29(48)22-8(5-32-23-13(34-22)24(44)36-28(47)35-23)12(30(29)9-3-2-7(31)4-10(9)33-27(30)46)25(45)50-20-17(41)15(39)16(40)18(42)21(20)51-26-19(43)14(38)11(37)6-49-26/h2-4,8,11-12,14-21,26,37-43,48H,5-6H2,1H3,(H,33,46)(H3,32,35,36,44,47)/t8-,11+,12+,14-,15-,16+,17-,18-,19+,20?,21?,26-,29+,30+/m0/s1
Molecular Structure: (C30H34BrN5O15) D-myo-Inositol,5-O-b-D-xylopyranosyl-,4-(6'-bromo-1,1',2',3,4,6,8,8a,9,10-decahydro-6-hydroxy-6-meth...
Properties
Density:2.25g/cm3
Refractive index:1.896
Safety Data
 

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