Account (6aR,7S,8aR,21aR,21bS)-1,2,3,13,14,15,16,17,18,25,26,27-dodecahydroxy-5,11,20,23-tetraoxo-5,6a,7,8a,9,11,20,21a,21b,23-decahydrodibenzo[g,i]dibenzo[6',7':8',9'][1,4]dioxecino[2',3':4,5]pyrano[3,2-b][1,5]dioxacycloundecin-7-yl 3,4,5-trihydroxybenzoate
- Catalog No. :
- ACNOFN893
- CAS No. :
- 79786-00-8
- Molecular Formula :
- C41H28O26
- Molecular Weight :
- 936.65
IUPAC Name:(6aR,7S,8aR,21aR,21bS)-1,2,3,13,14,15,16,17,18,25,26,27-dodecahydroxy-5,11,20,23-tetraoxo-5,6a,7,8a,9,11,20,21a,21b,23-decahydrodibenzo[g,i]dibenzo[6',7':8',9'][1,4]dioxecino[2',3':4,5]pyrano[3,2-b][1,5]dioxacycloundecin-7-yl 3,4,5-trihydroxybenzoate
![(6aR,7S,8aR,21aR,21bS)-1,2,3,13,14,15,16,17,18,25,26,27-dodecahydroxy-5,11,20,23-tetraoxo-5,6a,7,8a,9,11,20,21a,21b,23-decahydrodibenzo[g,i]dibenzo[6',7':8',9'][1,4]dioxecino[2',3':4,5]pyrano[3,2-b][1,5]dioxacycloundecin-7-yl 3,4,5-trihydroxybenzoate structure diagram](/images/productimg/no-pic.svg)
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Product Information
| Product Name | (6aR,7S,8aR,21aR,21bS)-1,2,3,13,14,15,16,17,18,25,26,27-dodecahydroxy-5,11,20,23-tetraoxo-5,6a,7,8a,9,11,20,21a,21b,23-decahydrodibenzo[g,i]dibenzo[6',7':8',9'][1,4]dioxecino[2',3':4,5]pyrano[3,2-b][1,5]dioxacycloundecin-7-yl 3,4,5-trihydroxybenzoate |
|---|---|
| IUPAC Name | (6aR,7S,8aR,21aR,21bS)-1,2,3,13,14,15,16,17,18,25,26,27-dodecahydroxy-5,11,20,23-tetraoxo-5,6a,7,8a,9,11,20,21a,21b,23-decahydrodibenzo[g,i]dibenzo[6',7':8',9'][1,4]dioxecino[2',3':4,5]pyrano[3,2-b][1,5]dioxacycloundecin-7-yl 3,4,5-trihydroxybenzoate |
| Molecular Formula | C41H28O26 |
| Molecular Weight | 936.65 |
| SMILES | O=C(O[C@@H]1O[C@@H]2COC(=O)C3=CC(O)=C(O)C(O)=C3C3=C(O)C(O)=C(O)C=C3C(=O)O[C@H]2[C@@H]2OC(=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 | SWRFKGRMQVLMKA-JIZJWZDPSA-N |
| Synonym | casuarictin;(3,4,5-Trihydroxybenzoyl)2-O,3-O:4-O,6-O-bis[(4,4',5,5',6,6'-hexahydroxy-1,1'-biphenyl-2,2'-diyl)dicarbonyl]-β-D-glucopyranoside;2-O,3-O:4-O,6-O-Bis[(4,4',5,5',6,6'-hexahydroxy-1,1'-biphenyl-2,2'-diyl)biscarbonyl]-β-D-glucopyranose 1-(3,4,5-trihydroxybenzoate);3,4,5-Trihydroxybenzoyl 2-O,3-O:4-O,6-O-bis[(4,4',5,5',6,6'-hexahydroxybiphenyl-2,2'-diyl)biscarbonyl]-β-D-glucopyranoside;Galloyl pedunculagin;β-D-Glucopyranose, cyclic 2,3:4,6-bis[(1S)-4,4',5,5',6,6'-hexahydroxy[1,1'-biphenyl]-2,2'-dicarboxylate] 1-(3,4,5-trihydroxybenzoate) |
| CAS No. | 79786-00-8 |
Synthetic Route by SureRoute
2. ACNOFN893 Molecular Building Block Synthetic Route
Β-D-Glucopyranose, cyclic 2,3-(4,4',5,5',6,6'-hexahydroxy[1,1'-biphenyl]-2,2'-dicarboxylate) 1,6-bis(3,4,5-trihydroxybenzoate), (S)-
(1S,3R,4R,4aS,16aR)-4,8,9,10,11,12,13-Heptahydroxy-3-(hydroxymethyl)-6,15-dioxo-3,4,4a,6,15,16a-hexahydro-1H-dibenzo[f,h]pyrano[3,4-b][1,4]dioxecin-1-yl 3,4,5-trihydroxybenzoate
(1R,3R,4R,4aS,16aR)-4,8,9,10,11,12,13-Heptahydroxy-3-(hydroxymethyl)-6,15-dioxo-3,4,4a,6,15,16a-hexahydro-1H-dibenzo[f,h]pyrano[3,4-b][1,4]dioxecin-1-yl 3,4,5-trihydroxybenzoate