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Substance Name: Trichothec-9-en-8-one, 12,13-epoxy-15-(beta-D-glucopyranosyloxy)-3,7-dihydroxy-, (3alpha,7alpha)-
RN: 131180-29-5
InChIKey: YCMGNMAHGZOWGK-IAQISHLUSA-N

Molecular Formula

  • C21-H30-O11

Molecular Weight

  • 458.457
 
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Names and Synonyms

  • Trichothec-9-en-8-one, 12,13-epoxy-15-(beta-D-glucopyranosyloxy)-3,7-dihydroxy-, (3alpha,7alpha)-

Registry Numbers

CAS Registry Number

  • 131180-29-5

System Generated Number

  • 0131180295

Structure Descriptors

InChI

1S/C21H30O11/c1-8-3-11-20(16(28)12(8)24,19(2)4-9(23)17(32-11)21(19)7-30-21)6-29-18-15(27)14(26)13(25)10(5-22)31-18/h3,9-11,13-18,22-23,25-28H,4-7H2,1-2H3/t9-,10-,11-,13-,14+,15-,16-,17-,18-,19-,20-,21?/m1/s1

InChIKey

YCMGNMAHGZOWGK-IAQISHLUSA-N

Smiles

C1[C@H]([C@H]2O[C@@H]3C=C(C([C@H]([C@@]3([C@@]1(C)[C@@]12CO1)CO[C@H]1[C@H](O)[C@@H](O)[C@H](O)[C@H](O1)CO)O)=O)C)O