Account Phyllanthusiin C
- Catalog No. :
- ACPDKQ262
- CAS No. :
- 142674-52-0
- Molecular Formula :
- C40H30O26
- Molecular Weight :
- 926.65
IUPAC Name:(56R,57R,59S,518S)-14,15,16,24,25,26,51,52,53a,514,515-undecahydroxy-54,512,3,8-tetraoxo-52,53,53a,54,56,57,59,510,512,516b-decahydro-51H-4,7-dioxa-5(18,7)-1,16-epoxy-6,10-methanobenzo[i]cyclopenta[k][1,4,7]trioxacyclotridecina-1,2(1,2)-dibenzenacyclooctaphane-59-yl 3,4,5-trihydroxybenzoate
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Product Information
| Product Name | Phyllanthusiin C |
|---|---|
| IUPAC Name | (56R,57R,59S,518S)-14,15,16,24,25,26,51,52,53a,514,515-undecahydroxy-54,512,3,8-tetraoxo-52,53,53a,54,56,57,59,510,512,516b-decahydro-51H-4,7-dioxa-5(18,7)-1,16-epoxy-6,10-methanobenzo[i]cyclopenta[k][1,4,7]trioxacyclotridecina-1,2(1,2)-dibenzenacyclooctaphane-59-yl 3,4,5-trihydroxybenzoate |
| MDL No. | MFCD34801207 |
| Molecular Formula | C40H30O26 |
| Molecular Weight | 926.65 |
| 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]3C1OC(=O)C1=CC(O)=C(O)C4=C1C1C(O)(CC(O)C1(O)O4)C(=O)O[C@@H]32)C1=CC(O)=C(O)C(O)=C1 |
| InChI Key | LCJOXNIMFDLZJH-XLPFPZCGSA-N |
| Synonym | β-D-Glucopyranose, cyclic 3,6-(4,4',5,5',6,6'-hexahydroxy[1,1'-biphenyl]-2,2'-dicarboxylate) cyclic 2→8:4→1-(2,3,3a,8b-tetrahydro-1,3,3a,5,6-pentahydroxy-1H-cyclopenta[b]benzofuran-1,8-dicarboxylate) 1-(3,4,5-trihydroxybenzoate);Phyllanthusiin C |
| CAS No. | 142674-52-0 |
Synthetic Route by SureRoute
2. ACPDKQ262 Molecular Building Block Synthetic Route
2-((53S,53aS,54S,57R,58R,510S,511R,517R)-14,15,16,24,25,26,53,515,516-nonahydroxy-52,55,513,3,8-pentaoxo-510-((3,4,5-trihydroxybenzoyl)oxy)-52,53,53a,54,55,57,58,510,511,513-decahydro-4,7-dioxa-5(17,8)-7,11-methano[1,4,7]trioxacyclotridecino[11,10,9-de]chromena-1,2(1,2)-dibenzenacyclooctaphane-54-yl)acetic acid
4-(3-carboxy-1-((14,15,16,24,25,26,55-heptahydroxy-3,8-dioxo-56-((3,4,5-trihydroxybenzoyl)oxy)-53,54,55,56-tetrahydro-52H-4,7-dioxa-5(4,2)-pyrana-1,2(1,2)-dibenzenacyclooctaphane-53-yl)oxy)-1-oxopropan-2-yl)-5,6,7-trihydroxy-1-oxoisochromane-3-carboxylic acid
(57R,58S,510R,511R,519S)-14,15,16,24,25,26,52,53,516,517,517-Undecahydroxy-55,513,515,3,8-pentaoxo-55,57,58,510,511,513,515,516,517,517a-decahydro-4,7-dioxa-5(19,10)-1,16-epoxy-7,11-methanodibenzo[i,k][1,4,7]trioxacyclotridecina-1,2(1,2)-dibenzenacyclooctaphane-58-yl 3,4,5-trihydroxybenzoate
