Account 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
- Catalog No. :
- ACQFUA270
- CAS No. :
- 18942-26-2
- Molecular Formula :
- C41H32O27
- Molecular Weight :
- 956.68
IUPAC Name: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
![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 structure diagram](/images/productimg/no-pic.svg)
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5mg98%$72.00Login to see priceInquiryInquiry
10mg98%$92.00Login to see priceInquiryInquiry
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Product Information
| Product Name | 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 |
|---|---|
| IUPAC Name | 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 |
| MDL No. | - |
| Molecular Formula | C41H32O27 |
| Molecular Weight | 956.68 |
| SMILES | O=C(O)C[C@@H]([C@](C1=C(O2)C(O)=C(O)C=C1C3=O)([H])[C@@H](O)C2=O)C(O[C@]4([H])[C@@H](COC(C5=CC(O)=C(O)C(O)=C5)=O)O[C@@H](OC(C6=CC(O)=C(O)C(O)=C6)=O)[C@]([C@@H]4OC(C7=CC(O)=C(O)C(O)=C7)=O)([H])O3)=O |
| InChI Key | YGVHOSGNOYKRIH-IFPULTQJSA-N |
| Synonym | CHEBULINIC ACID;NSC69862;CHEBULINIC ACID(SH);Eutannin;β-D-Glucopyranose, 1,3,6-tris(3,4,5-trihydroxybenzoate), cyclic 2→2:4→1-ester with (2S)-[(3R,4S)-5-carboxy-3,4-dihydro-3,7,8-trihydroxy-2-oxo-2H-1-benzopyran-4-yl]butanedioic acid;b-D-Glucopyranose,1,3,6-tris(3,4,5-trihydroxybenzoate), cyclic 22:41-ester with (2S)-[(3R,4S)-5-carboxy-3,4-dihydro-3,7,8-trihydroxy-2-oxo-2H-1-benzopyran-4-yl]butanedioicacid;Chebulinic acid >=85% (LC/MS-ELSD);CHEBULINIC ACID USP/EP/BP |
| CAS No. | 18942-26-2 |
| PubChem CID | 72284 |
Safety Data
- Pictogram
- Signal Word
- Warning
- Hazard Statement(s)
- H315-H319
- Precautionary Statement(s)
- P264-P280-P302+P352-P305+P351+P338-P332+P313-P337+P313-P362+P364
Synthetic Route by SureRoute
2. ACQFUA270 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
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