Chemical Compound

galloylpaeoniflorin

CAS Registry Number 122965-41-7

Primary Record

Compound Identifiers & Properties

CAS: 122965-41-7
PubChem CID: 101604718
SMILES: C[C@]12C[C@@]3([C@@H]4C[C@]1([C@@]4([C@H](O2)O3)COC(=O)C5=CC=CC=C5)O[C@H]6[C@@H]([C@H]([C@@H]([C@H](O6)COC(=O)C7=CC(=C(C(=C7)O)O)O)O)O)O)O
Canonical SMILES: C[C@@]12C[C@@]3(O)O[C@@H](O1)[C@]1(COC(=O)c4ccccc4)[C@H]3C[C@@]12O[C@@H]1O[C@H](COC(=O)c2cc(O)c(O)c(O)c2)[C@@H](O)[C@H](O)[C@H]1O

galloylpaeoniflorin
RefChem:1048845
6 -O-Galloylpaeoniflorin
CHEMBL5597632
orb1297575
122965-41-7
DTXSID801384027
HY-N5048
AKOS040760134
ZINC583646008
EBC-615667
MS-30868
J404.650A
CS-0032180
((2R,3S,4S,5R,6S)-6-(((1R,2S,3R,5R,6R,8S)-2-(benzoyloxymethyl)-6-hydroxy-8-methyl-9,10-dioxatetracyclo(4.3.1.02,5.03,8)decan-3-yl)oxy)-3,4,5-trihydroxyoxan-2-yl)methyl 3,4,5-trihydroxybenzoate
(2R,6abeta)-3abeta-(Benzoyloxymethyl)-4-(6-O-galloyl-beta-D-glucopyranosyloxy)-5-methyl-2alpha,5alpha:3alpha,4alpha-dimethanohexahydrofuro[2,3-b]furan-2-ol
[(2R,3S,4S,5R,6S)-6-[[(1R,2S,3R,5R,6R,8S)-2-(benzoyloxymethyl)-6-hydroxy-8-methyl-9,10-dioxatetracyclo[4.3.1.02,5.03,8]decan-3-yl]oxy]-3,4,5-trihydroxyoxan-2-yl]methyl 3,4,5-trihydroxybenzoate
[(2R,3S,4S,5R,6S)-6-{[(1R,2S,3R,5R,6R,8S)-2-[(benzoyloxy)methyl]-6-hydroxy-8-methyl-9,10-dioxatetracyclo[4.3.1.0^{2,5}.0^{3,8}]decan-3-yl]oxy}-3,4,5-trihydroxyoxan-2-yl]methyl 3,4,5-trihydroxybenzoate
[(2R,3S,4S,5R,6S)-6-{[(1R,2S,3R,5R,6R,8S)-2-[(benzoyloxy)methyl]-6-hydroxy-8-methyl-9,10-dioxatetracyclo[4.3.1.02,5.03,8]decan-3-yl]oxy}-3,4,5-trihydroxyoxan-2-yl]methyl 3,4,5-trihydroxybenzoate
[[(1aR)-5bbeta-[(Benzoyloxy)methyl]-3abeta,5,5abeta,5b-tetrahydro-5beta-hydroxy-2-methyl-2alpha,5alpha-methano-3,4-dioxa-1H-cyclobuta[cd]pentalen]-1abeta(2H)-yl]6-O-galloyl-beta-D-glucopyranoside
Benzoic acid [(1R,2S,4R,6R,7R,8S)-1-[6-O-(3,4,5-trihydroxybenzoyl)-beta-D-glucopyranosyloxy]-2-methyl-6-hydroxy-3,5-dioxatetracyclo[5.1.1.12,6.04,8]decane-8-yl]methyl ester