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Oxypaeoniflorin - 98%, high purity , CAS No.39011-91-1

COA

Grade & Purity:

≥98%

Cas Number: 39011-91-1
Molecular Weight: 496.46
PubChem CID: 21631105

In stock

Item Number

O412642

Grouped product items
SKU	Size	Availability	Price
O412642-1mg	1mg	3	$39.90
O412642-5mg	5mg	2	$119.90
O412642-10mg	10mg	2	$199.90
O412642-25mg	25mg	2	$399.90
O412642-50mg	50mg	2	$629.90

Basic Description

Synonyms	Oxypaeoniflorin \| Oxypaeoniflora \| 39011-91-1 \| UNII-3A7O4NBD5S \| 3A7O4NBD5S \| OXYPEONIFLORIN \| NSC 258310 \| NSC-258310 \| J17.727J \| beta-D-GLUCOPYRANOSIDE, (1AR,2S,3AR,5R,5AR,5BS)-TETRAHYDRO-5-HYDROXY-5B-(((4-HYDROXYBENZOYL)OXY)METHYL)-2-METHYL-2,5-METHANO-1H-3,4-DIOXACYC
Specifications & Purity	≥98%
Biochemical and Physiological Mechanisms	Oxypaeoniflorin is a natural compound derived from Radix Paeoniae Rubra and Radix Paeoniae Alba.
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	Information Oxypaeoniflorin is a natural compound derived from Radix Paeoniae Rubra and Radix Paeoniae Alba.

Taxonomic Classification

Taxonomy Tree

Kingdom Organic compounds
- Superclass Lipids and lipid-like molecules
  - Class Prenol lipids
    - Subclass Terpene glycosides

Kingdom	Organic compounds
Superclass	Lipids and lipid-like molecules
Class	Prenol lipids
Subclass	Terpene glycosides
Intermediate Tree Nodes	Not available
Direct Parent	Terpene glycosides
Alternative Parents	Hexoses p-Hydroxybenzoic acid alkyl esters O-glycosyl compounds Aromatic monoterpenoids Bicyclic monoterpenoids Benzoyl derivatives Furofurans 1-hydroxy-2-unsubstituted benzenoids Oxepanes 1,3-dioxanes Oxanes Tetrahydrofurans Hemiacetals Cyclic alcohols and derivatives Carboxylic acid esters Secondary alcohols Oxacyclic compounds Polyols Acetals Monocarboxylic acids and derivatives Hydrocarbon derivatives Primary alcohols Organic oxides
Molecular Framework	Aromatic heteropolycyclic compounds
Substituents	Terpene glycoside - Hexose monosaccharide - P-hydroxybenzoic acid alkyl ester - P-hydroxybenzoic acid ester - Glycosyl compound - O-glycosyl compound - Nopinane monoterpenoid - Pinane monoterpenoid - Aromatic monoterpenoid - Monoterpenoid - Benzoate ester - Benzoic acid or derivatives - Benzoyl - Furofuran - Oxepane - Phenol - 1-hydroxy-2-unsubstituted benzenoid - Oxane - Benzenoid - Monocyclic benzene moiety - Meta-dioxane - Monosaccharide - Tetrahydrofuran - Cyclic alcohol - Hemiacetal - Carboxylic acid ester - Secondary alcohol - Polyol - Acetal - Carboxylic acid derivative - Organoheterocyclic compound - Oxacycle - Monocarboxylic acid or derivatives - Primary alcohol - Organic oxygen compound - Hydrocarbon derivative - Organic oxide - Alcohol - Organooxygen compound - Aromatic heteropolycyclic compound
Description	This compound belongs to the class of organic compounds known as terpene glycosides. These are prenol lipids containing a carbohydrate moiety glycosidically bound to a terpene backbone.
External Descriptors	Not available
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. DOI: 10.1186/s13321-016-0174-y

Mechanisms of Action

Mechanism of Action	Action Type	target ID	Target Name	Target Type	Target Organism	Binding Site Name	References

Names and Identifiers

IUPAC Name	[(1R,2S,3R,5R,6R,8S)-6-hydroxy-8-methyl-3-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-9,10-dioxatetracyclo[4.3.1.02,5.03,8]decan-2-yl]methyl 4-hydroxybenzoate
INCHI	InChI=1S/C23H28O12/c1-20-8-22(30)13-6-23(20,33-18-16(28)15(27)14(26)12(7-24)32-18)21(13,19(34-20)35-22)9-31-17(29)10-2-4-11(25)5-3-10/h2-5,12-16,18-19,24-28,30H,6-9H2,1H3/t12-,13-,14-,15+,16-,18+,19-,20+,21+,22-,23+/m1/s1
InChIKey	FCHVXNVDFYXLIL-WRJNSLSBSA-N
Smiles	CC12CC3(C4CC1(C4(C(O2)O3)COC(=O)C5=CC=C(C=C5)O)OC6C(C(C(C(O6)CO)O)O)O)O
Isomeric SMILES	C[C@]12C[C@@]3([C@@H]4C[C@]1([C@@]4([C@H](O2)O3)COC(=O)C5=CC=C(C=C5)O)O[C@H]6[C@@H]([C@H]([C@@H]([C@H](O6)CO)O)O)O)O
Molecular Weight	496.46
Reaxy-Rn	55232861
Reaxys-RN_link_address	https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=55232861&ln=

Certificates（CoA,COO,BSE/TSE and Analysis Chart)

C of A & Other Certificates(BSE/TSE, COO):

Analytical Chart:

Find and download the COA for your product by matching the lot number on the packaging.

6 results found

Lot Number	Certificate Type	Date	Item
A2412500	Certificate of Analysis	Dec 11, 2023	O412642
A2412503	Certificate of Analysis	Dec 11, 2023	O412642
A2412504	Certificate of Analysis	Dec 11, 2023	O412642
A2412501	Certificate of Analysis	Dec 11, 2023	O412642
A2412505	Certificate of Analysis	Dec 11, 2023	O412642
A2412502	Certificate of Analysis	Dec 11, 2023	O412642

Chemical and Physical Properties

Molecular Weight	496.500 g/mol
XLogP3	-1.400
Hydrogen Bond Donor Count	6
Hydrogen Bond Acceptor Count	12
Rotatable Bond Count	7
Exact Mass	496.158 Da
Monoisotopic Mass	496.158 Da
Topological Polar Surface Area	185.000 Å²
Heavy Atom Count	35
Formal Charge	0
Complexity	879.000
Isotope Atom Count	0
Defined Atom Stereocenter Count	11
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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