Account Pedunculagin
- Catalog No. :
- ACDWTK203
- CAS No. :
- 113866-64-1
- Molecular Formula :
- C34H24O22
- Molecular Weight :
- 784.54
IUPAC Name:1,2,3,7,13,14,15,16,17,18,25,26,27-tridecahydroxy-6a,7,8a,9,21a,21b-hexahydrodibenzo[g,i]dibenzo[6',7':8',9'][1,4]dioxecino[2',3':4,5]pyrano[3,2-b][1,5]dioxacycloundecine-5,11,20,23-tetraone
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Product Information
| Product Name | Pedunculagin |
|---|---|
| IUPAC Name | 1,2,3,7,13,14,15,16,17,18,25,26,27-tridecahydroxy-6a,7,8a,9,21a,21b-hexahydrodibenzo[g,i]dibenzo[6',7':8',9'][1,4]dioxecino[2',3':4,5]pyrano[3,2-b][1,5]dioxacycloundecine-5,11,20,23-tetraone |
| Molecular Formula | C34H24O22 |
| Molecular Weight | 784.54 |
| SMILES | O=C(C1=CC(O)=C(O)C(O)=C1C2=C(O)C(O)=C(O)C=C23)OC(C(O)O4)C(C(C4COC(C5=CC(O)=C(O)C(O)=C5C6=C(O)C(O)=C(O)C=C67)=O)OC7=O)OC3=O |
| InChI Key | IYMHVUYNBVWXKH-UHFFFAOYSA-N |
| Synonym | α-D-Glucopyranose, cyclic 2,3:4,6-bis[(1S)-4,4',5,5',6,6'-hexahydroxy[1,1'-biphenyl]-2,2'-dicarboxylate] |
| CAS No. | 113866-64-1 |
Synthetic Route by SureRoute
2. ACDWTK203 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)-
(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
(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