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(−)-Olivil 4″-O-glucoside - ≥95% (LC/MS-ELSD), high purity , CAS No.76880-93-8
Basic Description
Specifications & Purity
≥95%(LC/MS-ELSD)
Storage Temp
Store at -20°C
Shipped In
Ice chest + Ice pads
This product requires cold chain shipping. Ground and other economy services are not available.
Product Description
Description
Natural product derived from plant source.}
Taxonomic Classification
Kingdom
Organic compounds
Superclass
Lignans, neolignans and related compounds
Class
Lignan glycosides
Subclass
Not available
Intermediate Tree Nodes
Not available
Direct Parent
Lignan glycosides
Alternative Parents
7,9'-epoxylignans Fatty acyl glycosides of mono- and disaccharides Phenolic glycosides Alkyl glycosides O-glycosyl compounds Methoxyphenols Anisoles Methoxybenzenes Phenoxy compounds 1-hydroxy-2-unsubstituted benzenoids Alkyl aryl ethers Monosaccharides Oxanes Tetrahydrofurans Tertiary alcohols Secondary alcohols Polyols Dialkyl ethers Oxacyclic compounds Acetals Primary alcohols Hydrocarbon derivatives
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
Lignan glycoside - Tetrahydrofuran lignan - 7,9p-epoxylignan - Furanoid lignan - Fatty acyl glycoside - Fatty acyl glycoside of mono- or disaccharide - Phenolic glycoside - Alkyl glycoside - O-glycosyl compound - Glycosyl compound - Methoxyphenol - Methoxybenzene - Phenoxy compound - Phenol ether - Anisole - Alkyl aryl ether - Phenol - 1-hydroxy-2-unsubstituted benzenoid - Monosaccharide - Monocyclic benzene moiety - Fatty acyl - Oxane - Benzenoid - Tertiary alcohol - Tetrahydrofuran - Secondary alcohol - Polyol - Acetal - Ether - Dialkyl ether - Organoheterocyclic compound - Oxacycle - Alcohol - Primary alcohol - Hydrocarbon derivative - Organic oxygen compound - Organooxygen compound - Aromatic heteromonocyclic compound
Description
This compound belongs to the class of organic compounds known as lignan glycosides. These are aromatic polycyclic compounds containing a carbohydrate component glycosidically linked to a lignan moiety. They include 1-aryltetralin lactones.
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,4S,5S,6R)-2-[4-[[(3S,4R,5S)-3-hydroxy-5-(4-hydroxy-3-methoxyphenyl)-4-(hydroxymethyl)oxolan-3-yl]methyl]-2-methoxyphenoxy]-6-(hydroxymethyl)oxane-3,4,5-triol
INCHI
InChI=1S/C26H34O12/c1-34-18-8-14(4-5-16(18)29)24-15(10-27)26(33,12-36-24)9-13-3-6-17(19(7-13)35-2)37-25-23(32)22(31)21(30)20(11-28)38-25/h3-8,15,20-25,27-33H,9-12H2,1-2H3/t15-,20-,21-,22+,23-,24-,25-,26-/m1/s1
InChIKey
SXGSYHDLSPXCMU-CTQTXEDXSA-N
Smiles
COC1=C(C=CC(=C1)CC2(COC(C2CO)C3=CC(=C(C=C3)O)OC)O)OC4C(C(C(C(O4)CO)O)O)O
Isomeric SMILES
COC1=C(C=CC(=C1)C[C@]2(CO[C@@H]([C@H]2CO)C3=CC(=C(C=C3)O)OC)O)O[C@H]4[C@@H]([C@H]([C@@H]([C@H](O4)CO)O)O)O
PubChem CID
14033815
Molecular Weight
538.54
Certificates（CoA,COO,BSE/TSE and Analysis Chart)
Chemical and Physical Properties
Flash Point(°F)
Not applicable
Flash Point(°C)
Not applicable
Molecular Weight
538.500 g/mol
XLogP3
0.100
Hydrogen Bond Donor Count
7
Hydrogen Bond Acceptor Count
12
Rotatable Bond Count
9
Exact Mass
538.205 Da
Monoisotopic Mass
538.205 Da
Topological Polar Surface Area
188.000 Ų
Heavy Atom Count
38
Formal Charge
0
Complexity
743.000
Isotope Atom Count
0
Defined Atom Stereocenter Count
8
Undefined Atom Stereocenter Count
0
Defined Bond Stereocenter Count
0
Undefined Bond Stereocenter Count
0
The total count of all stereochemical bonds
0
Covalently-Bonded Unit Count
1
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