Account 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
- Catalog No. :
- ACHCOA668
- CAS No. :
- 23094-71-5
- Molecular Formula :
- C41H30O27
- Molecular Weight :
- 954.66
IUPAC Name: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
![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 structure diagram](/images/productimg/no-pic.svg)
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Product Information
| Product Name | 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 |
|---|---|
| IUPAC Name | 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 |
| Molecular Formula | C41H30O27 |
| Molecular Weight | 954.66 |
| SMILES | O=C(O)C[C@@H]1C(=O)O[C@H]2[C@H]3OC(=O)C4=CC(O)=C(O)C(O)=C4C4=C(O)C(O)=C(O)C=C4C(=O)OC[C@H]2O[C@@H](OC(=O)C2=CC(O)=C(O)C(O)=C2)[C@@H]3OC(=O)C2=C3C(=C(O)C(O)=C2)OC(=O)[C@@H](O)[C@H]31 |
| InChI Key | HGJXAVROWQLCTP-BVTGIWGTSA-N |
| Synonym | chebulagic acid;1-ester with(2S)-[(3S,4S)-5-carboxy-3,4-dihydro-3,7,8-trihydroxy-2-oxo-2H-1-benzopyran-4-yl]butanedioicacid;5:4®b-D-Glucopyranose, cyclic3,6-[(1R)-4,4',5,5',6,6'-hexahydroxy[1,1'-biphenyl]-2,2'-dicarboxylate]1-(3,4,5-trihydroxybenzoate), cyclic 2®1-O-galloyl-2,4-O-chebuloyl-3,6-O-HHDP-β-D-glucose;b-D-Glucopyranose, cyclic3,6-[(1R)-4,4',5,5',6,6'-hexahydroxy[1,1'-biphenyl]-2,2'-dicarboxylate]1-(3,4,5-trihydroxybenzoate), cyclic 25:41-ester with(2S)-[(3S,4S)-5-carboxy-3,4-dihydro-3,7,8-trihydroxy-2-oxo-2H-1-benzopyran-4-yl]butanedioicacid, stereoi;β-D-Glucopyranose, cyclic 3,6-[(1R)-4,4',5,5',6,6'-hexahydroxy[1,1'-biphenyl]-2,2'-dicarboxylate] 1-(3,4,5-trihydroxybenzoate), cyclic 2→2:4→1-ester with (2S)-2-[(3S,4S)-5-carboxy-3,4-dihydro-3,7,8-trihydroxy-2-oxo-2H-1-benzopyran-4-yl]butanedioic acid;Chebulagic acid (6CI, 7CI) |
| CAS No. | 23094-71-5 |
Synthetic Route by SureRoute
2. ACHCOA668 Molecular Building Block Synthetic Route
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
Phyllanthusiin C
2-((3R,3aS,4S,7R,8R,10S,11R,17R)-3,15,16-Trihydroxy-2,5,13-trioxo-10,17-bis((3,4,5-trihydroxybenzoyl)oxy)-8-(((3,4,5-trihydroxybenzoyl)oxy)methyl)-2,3,3a,4,5,7,8,10,11,13-decahydro-7,11-methano[1,4,7]trioxacyclotridecino[11,10,9-de]chromen-4-yl)acetic acid