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Substance Name: Daphnetoxin, 12-hydroxy-
RN: 35302-50-2
InChIKey: ATCCMDINGQUBOE-UHFFFAOYSA-N

Molecular Formula

  • C27-H30-O9

Molecular Weight

  • 498.525
 
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Names and Synonyms

Results Name

  • Daphnetoxin, 12-hydroxy-

Synonyms

  • 12-Hydroxydaphnetoxin
  • NSC 239073

Systematic Name

  • 6H-2,8b-Epoxyoxireno(6,7)azuleno(5,4-e)-1,3-benzodioxol-6-one, 3a,3b,3c,4a,5,5a,8a,9,10,10a-decahydro-5,5a,10-trihydroxy-4a-(hydroxymethyl)-7,9-dimethyl-10a-(1-methylethenyl)-2-phenyl-

Registry Numbers

CAS Registry Number

  • 35302-50-2

Other Registry Number

  • 30277-03-3

System Generated Number

  • 0035302502

Structure Descriptors

InChI

1S/C27H30O9/c1-12(2)25-19(30)14(4)26-16-10-13(3)18(29)24(16,32)22(31)23(11-28)20(33-23)17(26)21(25)34-27(35-25,36-26)15-8-6-5-7-9-15/h5-10,14,16-17,19-22,28,30-32H,1,11H2,2-4H3

InChIKey

ATCCMDINGQUBOE-UHFFFAOYSA-N

Smiles

O[C@@H]1[C@@H]([C@@]23[C@@H]4[C@@]([C@@H]([C@@]5(CO)O[C@@H]5[C@@H]2[C@@H]2[C@@]1(O[C@@](O2)(c1ccccc1)O3)C(=C)C)O)(C(C(=C4)C)=O)O)C