ISOFISTULARIN-3

CAS No.
87099-50-1
CCD No.
CCD02307352
Formula
C31 H30 Br6 N4 O11
MolWeight
1114.02

Basic Information

Product Name: ISOFISTULARIN-3
CAS: 87099-50-1
English Synonyms: ISOFISTULARIN-3
MDL Number.: MFCD14635421
H bond acceptor: 15
H bond donor: 6
Smile: COC1=C([C@@H]([C@]2(CC(=NO2)C(=O)NCC(COc3c(cc(cc3Br)C(CNC(=O)C4=NO[C@@]5(C4)C=C(C(=C([C@@H]5O)Br)OC)Br)O)Br)O)C=C1Br)O)Br
InChi: InChI=1S/C31H30Br6N4O11/c1-48-24-16(34)5-30(26(44)21(24)36)7-18(40-51-30)28(46)38-9-13(42)11-50-23-14(32)3-12(4-15(23)33)20(43)10-39-29(47)19-8-31(52-41-19)6-17(35)25(49-2)22(37)27(31)45/h3-6,13,20,26-27,42-45H,7-11H2,1-2H3,(H,38,46)(H,39,47)/t13?,20?,26-,27-,30+,31+/m0/s1
InChiKey: InChIKey=TURTULDFIIAPTC-CJQKJACMSA-N

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