Account (11aR,13S,14R,15R,15aR)-13-(3,5-dihydroxy-4-(3-phenylpropanoyl)phenoxy)-2,3,4,5,6,7,14-heptahydroxy-9,17-dioxo-9,11,11a,13,14,15,15a,17-octahydrodibenzo[g,i]pyrano[3,2-b][1,5]dioxacycloundecin-15-yl 3,4,5-trihydroxybenzoate
- Catalog No. :
- ACVDTB972
- CAS No. :
- 271579-11-4
- Molecular Formula :
- C42H34O21
- Molecular Weight :
- 874.71
IUPAC Name:(11aR,13S,14R,15R,15aR)-13-(3,5-dihydroxy-4-(3-phenylpropanoyl)phenoxy)-2,3,4,5,6,7,14-heptahydroxy-9,17-dioxo-9,11,11a,13,14,15,15a,17-octahydrodibenzo[g,i]pyrano[3,2-b][1,5]dioxacycloundecin-15-yl 3,4,5-trihydroxybenzoate
![(11aR,13S,14R,15R,15aR)-13-(3,5-dihydroxy-4-(3-phenylpropanoyl)phenoxy)-2,3,4,5,6,7,14-heptahydroxy-9,17-dioxo-9,11,11a,13,14,15,15a,17-octahydrodibenzo[g,i]pyrano[3,2-b][1,5]dioxacycloundecin-15-yl 3,4,5-trihydroxybenzoate structure diagram](/images/productimg/no-pic.svg)
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Product Information
| Product Name | (11aR,13S,14R,15R,15aR)-13-(3,5-dihydroxy-4-(3-phenylpropanoyl)phenoxy)-2,3,4,5,6,7,14-heptahydroxy-9,17-dioxo-9,11,11a,13,14,15,15a,17-octahydrodibenzo[g,i]pyrano[3,2-b][1,5]dioxacycloundecin-15-yl 3,4,5-trihydroxybenzoate |
|---|---|
| IUPAC Name | (11aR,13S,14R,15R,15aR)-13-(3,5-dihydroxy-4-(3-phenylpropanoyl)phenoxy)-2,3,4,5,6,7,14-heptahydroxy-9,17-dioxo-9,11,11a,13,14,15,15a,17-octahydrodibenzo[g,i]pyrano[3,2-b][1,5]dioxacycloundecin-15-yl 3,4,5-trihydroxybenzoate |
| MDL No. | - |
| Molecular Formula | C42H34O21 |
| Molecular Weight | 874.71 |
| SMILES | O=C(O[C@@H]1[C@@H](O)[C@H](OC2=CC(O)=C(C(=O)CCC3=CC=CC=C3)C(O)=C2)O[C@@H]2COC(=O)C3=CC(O)=C(O)C(O)=C3C3=C(O)C(O)=C(O)C=C3C(=O)O[C@@H]12)C1=CC(O)=C(O)C(O)=C1 |
| InChI Key | XQVKQEFQGYTUAR-VHBRHXFYSA-N |
| Synonym | thonningianin A;Pinocembrin dihydrochalcone 7-O-[3''-O-galloyl-4'',6''-hexahydroxydiphenoyl]-beta-D-glucoside;1-Propanone, 1-[4-[[4,6-O-[[(1S)-4,4',5,5',6,6'-hexahydroxy[1,1'-biphenyl]-2,2'-diyl]dicarbonyl]-3-O-(3,4,5-trihydroxybenzoyl)-β-D-glucopyranosyl]oxy]-2,6-dihydroxyphenyl]-3-phenyl-;superoxide,inhibit,Apoptosis,cell,Fe2+,metal,chelation,sub-G1,Inhibitor,ions,Thonningianin A,scavenging,HepG-2,antioxidant;Thonningianins A;Thonningianin A/B;Thonningianin A, 10 mM in DMSO;(11aR,13S,14R,15R,15aR)-13-(3,5-Dihydroxy-4-(3-phenylpropanoyl)phenoxy)-2,3,4,5,6,7,14-heptahydroxy-9,17-dioxo-9,11,11a,13,14,15,15a,17-octahydrodibenzo[g,i]pyrano[3,2-b][1,5]dioxacycloundecin-15-yl 3,4,5-trihydroxybenzoate |
| CAS No. | 271579-11-4 |
| PubChem CID | 10328286 |
Synthetic Route by SureRoute
2. ACVDTB972 Molecular Building Block Synthetic Route
13-(3,5-dihydroxy-4-(3-phenylpropanoyl)phenoxy)-2,3,4,5,6,7,14,15-octahydroxy-11,11a,13,14,15,15a-hexahydrodibenzo[g,i]pyrano[3,2-b][1,5]dioxacycloundecine-9,17-dione
2,3,4,5,6,7,14-heptahydroxy-13-((5-hydroxy-4-oxo-2-phenylchroman-7-yl)oxy)-9,17-dioxo-9,11,11a,13,14,15,15a,17-octahydrodibenzo[g,i]pyrano[3,2-b][1,5]dioxacycloundecin-15-yl 3,4,5-trihydroxybenzoate
Pedunculagin