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Substance Name: Isofistularin-3
RN: 87099-50-1
InChIKey: TURTULDFIIAPTC-CJQKJACMSA-N

Molecular Formula

  • C31-H30-Br6-N4-O11

Molecular Weight

  • 1114.02
 
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Names and Synonyms

Results Name

  • Isofistularin-3

Synonym

  • Isofistularin-3

Systematic Name

  • 1-Oxa-2-azaspiro(4.5)deca-2,6,8-triene-3-carboxamide, 7,9-dibromo-N-(3-(2,6-dibromo-4-(2-((((5S,10R)-7,9-dibromo-10-hydroxy-8-methoxy-1-oxa-2-azaspiro(4.5)deca-2,6,8-trien-3-yl)carbonyl)amino)-1-hydroxyethyl)phenoxy)-2-hydroxypropyl)-10-hydroxy-8-methoxy-, (5S,10R)-

Registry Numbers

CAS Registry Number

  • 87099-50-1

System Generated Number

  • 0087099501

Structure Descriptors

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

TURTULDFIIAPTC-CJQKJACMSA-N

Smiles

O1N=C(C[C@]21C=C(C(=C([C@@H]2O)Br)OC)Br)C(=O)NC[C@@H](COc1c(cc(cc1Br)[C@@H](CNC(=O)C1=NO[C@@]2(C1)C=C(C(=C([C@@H]2O)Br)OC)Br)O)Br)O