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Substance Name: Trichothecane-10-sulfonic acid, 3-(acetyloxy)-12,13-epoxy-7,15-dihydroxy-8-oxo-, monosodium salt, (3alpha,7beta)-
RN: 103776-37-0
InChIKey: QXKMHNDRIBRYEU-IBCQUSCCSA-M

Molecular Weight

  • 442.415
 
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Names and Synonyms

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

Registry Numbers

CAS Registry Number

  • 103776-37-0

System Generated Number

  • 0103776370

Structure Descriptors

InChI

1S/C17H24O10S.Na/c1-7-10(20)12(21)16(5-18)14(11(7)28(22,23)24)27-13-9(26-8(2)19)4-15(16,3)17(13)6-25-17;/h7,9,11-14,18,21H,4-6H2,1-3H3,(H,22,23,24);/q;+1/p-1/t7-,9-,11?,12+,13-,14-,15-,16+,17?;/m1./s1

InChIKey

QXKMHNDRIBRYEU-IBCQUSCCSA-M

Smiles

[Na+].C1[C@H]([C@H]2O[C@@H]3[C@@H]([C@@H](C([C@@H]([C@@]3([C@@]1(C)[C@@]12CO1)CO)O)=O)C)S(=O)(=O)[O-])OC(=O)C