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Substance Name: 12-Hydroxydaphnetoxin tribromoacetate
RN: 35302-51-3
InChIKey: HZBIWCTXTULXSG-UHFFFAOYSA-N

Molecular Formula

  • C33-H33-Br3-O12

Molecular Weight

  • 861.3237
 
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Names and Synonyms

Results Name

  • 12-Hydroxydaphnetoxin tribromoacetate

Synonym

  • 12-Hydroxydaphnetoxin tribromoacetate

Registry Numbers

CAS Registry Number

  • 35302-51-3

Other Registry Number

  • 37439-46-6

System Generated Number

  • 0035302513

Structure Descriptors

InChI

1S/C33H33Br3O12/c1-15(2)31-25(43-21(38)12-35)17(4)32-19-10-16(3)24(40)30(19,41)28(44-22(39)13-36)29(14-42-20(37)11-34)26(45-29)23(32)27(31)46-33(47-31,48-32)18-8-6-5-7-9-18/h5-10,17,19,23,25-28,41H,1,11-14H2,2-4H3

InChIKey

HZBIWCTXTULXSG-UHFFFAOYSA-N

Smiles

CC1C(C2(C3C4C1(C5C=C(C(=O)C5(C(C6(C4O6)COC(=O)CBr)OC(=O)CBr)O)C)OC(O3)(O2)c7ccccc7)C(=C)C)OC(=O)CBr