Secoxyloganin

Datasheet MSDS
Catalog Number
ANC02883
Product Name
Secoxyloganin
CAS Number
58822-47-2
IUPAC Name
2-[(2S,3R,4S)-3-ethenyl-5-methoxycarbonyl-2-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-3,4-dihydro-2H-pyran-4-yl]acetic acid
Synonyms
[(2S,3R,4S)-3-ethenyl-2-(beta-D-glucopyranosyloxy)-5-(methoxycarbonyl)-3,4-dihydro-2H
-pyran-4-yl]aceticacid
Molecular Formula
C17H24O11
Molecular Weight
404.37
Appearance
Powder
Purity
>98%
SMILES
COC(=O)C1=CO[C@H]([C@@H]([C@@H]1CC(=O)O)C=C)O[C@H]2[C@@H]([C@H]([C@@H]([C@H](O2)CO)O)O)O
InChI
InChI=1S/C17H24O11/c1-3-7-8(4-11(19)20)9(15(24)25-2)6-26-16(7)28-17-14(23)13(22)12(21)10(5-18)27-17/h3,6-8,10,12-14,16-18,21-23H,1,4-5H2,2H3,(H,19,20)/t7-,8+,10-,12-,13+,14-,16+,17+/m1/s1
InChI Key
MQLSOVRLZHTATK-PEYNGXJCSA-N
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