Account 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
- Catalog No. :
- ACNURD644
- CAS No. :
- 28196-46-5
- Molecular Formula :
- C41H32O28
- Molecular Weight :
- 972.68
IUPAC Name: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
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Product Information
| Product Name | 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 |
|---|---|
| IUPAC Name | 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 |
| MDL No. | MFCD32661900 |
| Molecular Formula | C41H32O28 |
| Molecular Weight | 972.68 |
| SMILES | O=C(O)CC(C(=O)OC1C2COC(=O)C3=CC(O)=C(O)C(O)=C3C3=C(O)C(O)=C(O)C=C3C(=O)OC1C(O)C(OC(=O)C1=CC(O)=C(O)C(O)=C1)O2)C1C2=C(O)C(O)=C(O)C=C2C(=O)OC1C(=O)O |
| InChI Key | MEUUWCKGFAIYFH-UHFFFAOYSA-N |
| Synonym | Neochebulagic acid;β-D-Glucopyranose, cyclic 3,6-(4,4',5,5',6,6'-hexahydroxy[1,1'-biphenyl]-2,2'-dicarboxylate) 4-[4-hydrogen (3-carboxy-3,4-dihydro-5,6,7-trihydroxy-1-oxo-1H-2-benzopyran-4-yl)butanedioate] 1-(3,4,5-trihydroxybenzoate), stereoisomer |
| CAS No. | 28196-46-5 |
Synthetic Route by SureRoute
2. ACNURD644 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
(S)-4-(((2R,3R,4R,5R,6S)-5-Hydroxy-4,6-bis((3,4,5-trihydroxybenzoyl)oxy)-2-(((3,4,5-trihydroxybenzoyl)oxy)methyl)tetrahydro-2H-pyran-3-yl)oxy)-4-oxo-3-((3S,4S)-5,6,7-trihydroxy-3-(methoxycarbonyl)-1-oxoisochroman-4-yl)butanoic acid
Phyllanthusiin C