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Substance Name: Asebotin
RN: 11075-15-3
InChIKey: PQCIBORQLVRFMR-OCVXTVMPSA-N

Molecular Formula

  • C22-H26-O10

Molecular Weight

  • 450.4374
 
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Names and Synonyms

Name of Substance

  • Asebotin

Systematic Name

  • 1-Propanone, 1-(2-(beta-D-glucopyranosyloxy)-6-hydroxy-4-methoxyphenyl)-3-(4-hydroxyphenyl)-

Registry Numbers

CAS Registry Number

  • 11075-15-3

System Generated Number

  • 0011075153

Structure Descriptors

InChI

1S/C22H26O10/c1-30-13-8-15(26)18(14(25)7-4-11-2-5-12(24)6-3-11)16(9-13)31-22-21(29)20(28)19(27)17(10-23)32-22/h2-3,5-6,8-9,17,19-24,26-29H,4,7,10H2,1H3/t17-,19-,20+,21-,22-/m0/s1

InChIKey

PQCIBORQLVRFMR-OCVXTVMPSA-N

Smiles

COc1cc(c(c(c1)O[C@@H]2[C@H]([C@@H]([C@H]([C@@H](O2)CO)O)O)O)C(=O)CCc3ccc(cc3)O)O