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Substance Name: Trichothecane-10-sulfonic acid, 12,13-epoxy-3,7,15-trihydroxy-8-oxo-, monosodium salt, (3alpha,7beta)-
RN: 103776-36-9
InChIKey: NBIUUQJZJDYTSD-SGIKMEBVSA-M

Molecular Weight

  • 400.378
 
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Names and Synonyms

  • Trichothecane-10-sulfonic acid, 12,13-epoxy-3,7,15-trihydroxy-8-oxo-, monosodium salt, (3alpha,7beta)-

Registry Numbers

CAS Registry Number

  • 103776-36-9

System Generated Number

  • 0103776369

Structure Descriptors

InChI

1S/C15H22O9S.Na/c1-6-8(18)10(19)14(4-16)12(9(6)25(20,21)22)24-11-7(17)3-13(14,2)15(11)5-23-15;/h6-7,9-12,16-17,19H,3-5H2,1-2H3,(H,20,21,22);/q;+1/p-1/t6-,7-,9?,10+,11-,12-,13-,14+,15?;/m1./s1

InChIKey

NBIUUQJZJDYTSD-SGIKMEBVSA-M

Smiles

[Na+].C[C@@]12C[C@H]([C@H](O[C@@H]3[C@@H]([C@@H](C([C@@H]([C@@]13CO)O)=O)C)S(=O)(=O)[O-])[C@@]12CO1)O