1-Butanone, 1-[2-[(6-O-D-apio-β-D-furanosyl-β-D-glucopyranosyl)oxy]-4,6-dihydroxyphenyl]-2-methyl-, (2S)-

CAS Registry Number®

467437-62-3

CAS Name

1-Butanone, 1-[2-[(6-O-D-apio-β-D-furanosyl-β-D-glucopyranosyl)oxy]-4,6-dihydroxyphenyl]-2-methyl-, (2S)-

Molecular Formula

C22H32O13

Molecular Mass

504.48

Cite this Page

1-Butanone, 1-[2-[(6-O-D-apio-β-D-furanosyl-β-D-glucopyranosyl)oxy]-4,6-dihydroxyphenyl]-2-methyl-, (2S)-.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=467437-62-3 (retrieved 2024-11-06) (CAS RN: 467437-62-3).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Other Names and Identifiers

InChI

InChI=1S/C22H32O13/c1-3-9(2)15(26)14-11(25)4-10(24)5-12(14)34-20-18(29)17(28)16(27)13(35-20)6-32-21-19(30)22(31,7-23)8-33-21/h4-5,9,13,16-21,23-25,27-31H,3,6-8H2,1-2H3/t9-,13+,16+,17-,18+,19-,20+,21+,22+/m0/s1

InChIKey

InChIKey=MXXCYHQPSVRPOP-MUUUQUSLSA-N

SMILES

C([C@H](CC)C)(=O)C1=C(O[C@@H]2O[C@H](CO[C@H]3[C@H](O)[C@](CO)(O)CO3)[C@@H](O)[C@H](O)[C@H]2O)C=C(O)C=C1O

Canonical SMILES

O=C(C=1C(O)=CC(O)=CC1OC2OC(COC3OCC(O)(CO)C3O)C(O)C(O)C2O)C(C)CC

Other Names for this Substance

  • 1-Butanone, 1-[2-[(6-O-D-apio-β-D-furanosyl-β-D-glucopyranosyl)oxy]-4,6-dihydroxyphenyl]-2-methyl-, (2S)-

CAS INSIGHTSTM
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