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Albiflorin - 10mM in DMSO, high purity , CAS No.39011-90-0(DMSO)

COA

Grade & Purity:

10mM in DMSO

Cas Number: 39011-90-0(DMSO)
Molecular Weight: 480.46
PubChem CID: 24868421

In stock

Item Number

A580293

Grouped product items
SKU	Size	Availability	Price	Qty
A580293-1ml	1ml	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$80.90

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Compound libraries (12325)

Basic Description

Synonyms	Albiflorin \| 39011-90-0 \| Alibiflorin \| CHEBI:132793 \| HY-N0037 \| MFCD29477681 \| AKOS032948342 \| CS-3643 \| NCGC00169374-01 \| NCGC00169374-02 \| AS-75074 \| C17457 \| BRD-K76724902-001-01-6 \| Q63399047 \| [(1R,3R,4R,6S,9S)-1-(beta-D-glucopyranosyloxy)-4-hydroxy-6-methyl-8-oxo-7-oxatricyc
Specifications & Purity	10mM in DMSO
Storage Temp	Store at -80°C
Shipped In	Dry ice packs + Cold packs This product requires cold chain shipping. Ground and other economy services are not available.

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	Terpene lactones Hexoses O-glycosyl compounds Bicyclic monoterpenoids Benzoic acid esters Aromatic monoterpenoids Benzoyl derivatives Oxepanes Dicarboxylic acids and derivatives Gamma butyrolactones Oxanes Tetrahydrofurans Secondary alcohols Cyclic alcohols and derivatives Carboxylic acid esters Acetals Polyols Oxacyclic compounds Carbonyl compounds Hydrocarbon derivatives Organic oxides Primary alcohols
Molecular Framework	Aromatic heteropolycyclic compounds
Substituents	Terpene glycoside - Terpene lactone - Hexose monosaccharide - Glycosyl compound - O-glycosyl compound - Aromatic monoterpenoid - Benzoate ester - Pinane monoterpenoid - Nopinane monoterpenoid - Monoterpenoid - Benzoic acid or derivatives - Benzoyl - Caprolactone - Oxepane - Monocyclic benzene moiety - Benzenoid - Dicarboxylic acid or derivatives - Gamma butyrolactone - Monosaccharide - Oxane - Tetrahydrofuran - Cyclic alcohol - Secondary alcohol - Lactone - Carboxylic acid ester - Polyol - Acetal - Oxacycle - Organoheterocyclic compound - Carboxylic acid derivative - Organooxygen compound - Hydrocarbon derivative - Organic oxygen compound - Primary alcohol - Alcohol - Carbonyl group - Organic oxide - 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

Names and Identifiers

IUPAC Name	[(1R,3R,4R,6S,9S)-4-hydroxy-6-methyl-8-oxo-1-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-7-oxatricyclo[4.3.0.03,9]nonan-9-yl]methyl benzoate
INCHI	InChI=1S/C23H28O11/c1-21-8-13(25)12-7-23(21,33-19-17(28)16(27)15(26)14(9-24)32-19)22(12,20(30)34-21)10-31-18(29)11-5-3-2-4-6-11/h2-6,12-17,19,24-28H,7-10H2,1H3/t12-,13+,14+,15+,16-,17+,19-,21-,22-,23-/m0/s1
InChIKey	QQUHMASGPODSIW-ICECTASOSA-N
Smiles	CC12CC(C3CC1(C3(C(=O)O2)COC(=O)C4=CC=CC=C4)OC5C(C(C(C(O5)CO)O)O)O)O
Isomeric SMILES	C[C@]12C[C@H]([C@@H]3C[C@]1([C@@]3(C(=O)O2)COC(=O)C4=CC=CC=C4)O[C@H]5[C@@H]([C@H]([C@@H]([C@H](O5)CO)O)O)O)O
WGK Germany	3
Molecular Weight	480.46
Reaxy-Rn	37857350
Reaxys-RN_link_address	https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=37857350&ln=

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

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

Analytical Chart:

Chemical and Physical Properties

Solubility	≥48 mg/mL in DMSO; insoluble in H2O; ≥56 mg/mL in EtOH；
Molecular Weight	480.500 g/mol
XLogP3	-1.000
Hydrogen Bond Donor Count	5
Hydrogen Bond Acceptor Count	11
Rotatable Bond Count	7
Exact Mass	480.163 Da
Monoisotopic Mass	480.163 Da
Topological Polar Surface Area	172.000 Å²
Heavy Atom Count	34
Formal Charge	0
Complexity	830.000
Isotope Atom Count	0
Defined Atom Stereocenter Count	10
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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