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11-O-Syringylbergenin - >98%, high purity , CAS No.126485-47-0
Basic Description
Specifications & Purity
≥98%
Storage Temp
Room temperature
Shipped In
Normal
Taxonomic Classification
Kingdom
Organic compounds
Superclass
Benzenoids
Class
Benzene and substituted derivatives
Subclass
Benzoic acids and derivatives
Intermediate Tree Nodes
Hydroxybenzoic acid derivatives
Direct Parent
Gallic acid and derivatives
Alternative Parents
p-Hydroxybenzoic acid alkyl esters M-methoxybenzoic acids and derivatives Methoxyphenols Dimethoxybenzenes 2-benzopyrans Phenoxy compounds Benzoyl derivatives Anisoles Alkyl aryl ethers 1-hydroxy-4-unsubstituted benzenoids 1-hydroxy-2-unsubstituted benzenoids Oxanes Monosaccharides Dicarboxylic acids and derivatives Secondary alcohols Lactones Carboxylic acid esters 1,2-diols Oxacyclic compounds Dialkyl ethers Organic oxides Hydrocarbon derivatives
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Gallic acid or derivatives - P-hydroxybenzoic acid alkyl ester - P-hydroxybenzoic acid ester - M-methoxybenzoic acid or derivatives - M-dimethoxybenzene - Dimethoxybenzene - 2-benzopyran - Methoxyphenol - Isochromane - Benzopyran - Benzoate ester - Phenoxy compound - Methoxybenzene - Phenol ether - Benzoyl - Anisole - 1-hydroxy-4-unsubstituted benzenoid - 1-hydroxy-2-unsubstituted benzenoid - Phenol - Alkyl aryl ether - Oxane - Monosaccharide - Dicarboxylic acid or derivatives - Secondary alcohol - Lactone - Carboxylic acid ester - 1,2-diol - Oxacycle - Organoheterocyclic compound - Polyol - Ether - Dialkyl ether - Carboxylic acid derivative - Organic oxygen compound - Organic oxide - Hydrocarbon derivative - Organooxygen compound - Alcohol - Aromatic heteropolycyclic compound
Description
This compound belongs to the class of organic compounds known as gallic acid and derivatives. These are compounds containing a 3,4,5-trihydroxybenzoic acid moiety.
External Descriptors
Not available
Data sources
1. Djoumbou Feunang Y, Eisner R, Knox C, Chepelev L, Hastings J, Owen G, Fahy E, Steinbeck C, Subramanian S, Bolton E, Greiner R, and Wishart DS. ClassyFire: Automated Chemical Classification With A Comprehensive, Computable Taxonomy. Journal of Cheminformatics, 2016, 8:61.
Names and Identifiers
IUPAC Name
[(2S,3R,4R,4aS,10bR)-3,4,8,10-tetrahydroxy-9-methoxy-6-oxo-3,4,4a,10b-tetrahydro-2H-pyrano[3,2-c]isochromen-2-yl]methyl 4-hydroxy-3,5-dimethoxybenzoate
INCHI
InChI=1S/C23H24O13/c1-31-11-4-8(5-12(32-2)15(11)25)22(29)34-7-13-16(26)18(28)21-20(35-13)14-9(23(30)36-21)6-10(24)19(33-3)17(14)27/h4-6,13,16,18,20-21,24-28H,7H2,1-3H3/t13-,16-,18+,20+,21-/m0/s1
InChIKey
GXCBETDJJWPGAQ-PCOXRIKQSA-N
Smiles
COC1=CC(=CC(=C1O)OC)C(=O)OCC2C(C(C3C(O2)C4=C(C(=C(C=C4C(=O)O3)O)OC)O)O)O
Isomeric SMILES
COC1=CC(=CC(=C1O)OC)C(=O)OC[C@H]2[C@@H]([C@H]([C@H]3[C@H](O2)C4=C(C(=C(C=C4C(=O)O3)O)OC)O)O)O
Alternate CAS
126485-47-0
MeSH Entry Terms
11-O-syringylbergenin
Reaxy-Rn
36547955
Reaxys-RN_link_address
https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=36547955&ln=
Certificates（CoA,COO,BSE/TSE and Analysis Chart)
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