Agrimonolide 6-O-glucoside

Datasheet MSDS
Catalog Number
ANC01130
Product Name
Agrimonolide 6-O-glucoside
Structure
Agrimonolide 6-O-glucoside
CAS Number
126223-29-8
IUPAC Name
(3S)-8-hydroxy-3-[2-(4-methoxyphenyl)ethyl]-6-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-3,4-dihydroisochromen-1-one
Synonyms
Agrimonolide-6-O-glucopyranoside
Molecular Formula
C24H28O10
Molecular Weight
476.5
Appearance
Powder
Purity
98.5%
SMILES
COC1=CC=C(C=C1)CC[C@H]2CC3=C(C(=CC(=C3)O[C@H]4[C@@H]([C@H]([C@@H]([C@H](O4)CO)O)O)O)O)C(=O)O2
InChI
InChI=1S/C24H28O10/c1-31-14-5-2-12(3-6-14)4-7-15-8-13-9-16(10-17(26)19(13)23(30)32-15)33-24-22(29)21(28)20(27)18(11-25)34-24/h2-3,5-6,9-10,15,18,20-22,24-29H,4,7-8,11H2,1H3/t15-,18+,20+,21-,22+,24+/m0/s1
InChI Key
GTNBYGORCDLAFG-KAJSMZSISA-N
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