SpectraBase Spectrum ID |
FDt0R41Sf6o |
Name |
1-[2-Hydroxy-6-methyl-4-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyphenyl]ethanone, 5me derivative |
Comments |
Computed using HOSE algorithm |
Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
Exact Mass |
398.194067918 u |
Formula |
C20H30O8 |
InChI |
InChI=1S/C20H30O8/c1-11-8-13(9-14(23-4)16(11)12(2)21)27-20-19(26-7)18(25-6)17(24-5)15(28-20)10-22-3/h8-9,15,17-20H,10H2,1-7H3/t15-,17-,18+,19-,20-/m1/s1 |
InChIKey |
HVHHIJXFRNNDET-XIKSMUEASA-N |
Molecular Weight |
398.452 g/mol |
SMILES |
C1(=C(C=C(C=C1OC)O[C@]1([C@@]([C@]([C@@]([C@](O1)(COC)[H])(OC)[H])(OC)[H])(OC)[H])[H])C)C(C)=O |