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Isoastragaloside II - 98%, high purity , CAS No.86764-11-6

COA

Grade & Purity:

≥98%

Cas Number: 86764-11-6
Molecular Weight: 827
PubChem CID: 60148655

In stock

Item Number

I664385

Grouped product items
SKU	Size	Availability	Price	Qty
I664385-10mg	10mg	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$666.90

Basic Description

Specifications & Purity	≥98%
Storage Temp	Room temperature
Shipped In	Normal

Taxonomic Classification

Taxonomy Tree

Kingdom Organic compounds
- Superclass Lipids and lipid-like molecules
  - Class Steroids and steroid derivatives
    - Subclass Steroidal glycosides
      - Level5 Steroidal saponins
        Level6 Cucurbitacin glycosides

Kingdom	Organic compounds
Superclass	Lipids and lipid-like molecules
Class	Steroids and steroid derivatives
Subclass	Steroidal glycosides
Intermediate Tree Nodes	Steroidal saponins
Direct Parent	Cucurbitacin glycosides
Alternative Parents	Triterpene saponins Triterpenoids Cycloartanols and derivatives 16-beta-hydroxysteroids O-glycosyl compounds Oxanes Monosaccharides Tetrahydrofurans Tertiary alcohols Cyclic alcohols and derivatives Carboxylic acid esters Secondary alcohols Polyols Oxacyclic compounds Monocarboxylic acids and derivatives Dialkyl ethers Acetals Primary alcohols Organic oxides Hydrocarbon derivatives Carbonyl compounds
Molecular Framework	Aliphatic heteropolycyclic compounds
Substituents	Cucurbitacin glycoside skeleton - Triterpene saponin - Triterpene glycoside - Cycloartanol-skeleton - Triterpenoid - 9b,19-cyclo-lanostane-skeleton - Cycloartane-skeleton - 16-hydroxysteroid - 16-beta-hydroxysteroid - Hydroxysteroid - Glycosyl compound - O-glycosyl compound - Monosaccharide - Oxane - Cyclic alcohol - Tetrahydrofuran - Tertiary alcohol - Carboxylic acid ester - Secondary alcohol - Monocarboxylic acid or derivatives - Ether - Dialkyl ether - Acetal - Organoheterocyclic compound - Oxacycle - Carboxylic acid derivative - Polyol - Primary alcohol - Alcohol - Organic oxide - Hydrocarbon derivative - Organic oxygen compound - Carbonyl group - Organooxygen compound - Aliphatic heteropolycyclic compound
Description	This compound belongs to the class of organic compounds known as cucurbitacin glycosides. These are polycyclic compounds containing a carbohydrate derivative glycosidically linked to a curcubitane nucleus.
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	[(2S,3R,4S,5R)-3,5-dihydroxy-2-[[(1S,3R,6S,8R,9S,11S,12S,14S,15R,16R)-14-hydroxy-15-[(2R,5S)-5-(2-hydroxypropan-2-yl)-2-methyloxolan-2-yl]-7,7,12,16-tetramethyl-9-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-6-pentacyclo[9.7.0.01,3.03,8.012,16]octadecanyl]oxy]oxan-4-yl] acetate
INCHI	InChI=1S/C43H70O15/c1-20(45)54-32-22(47)18-53-35(31(32)51)57-26-10-12-43-19-42(43)14-13-39(6)33(41(8)11-9-27(58-41)38(4,5)52)21(46)16-40(39,7)25(42)15-23(34(43)37(26,2)3)55-36-30(50)29(49)28(48)24(17-44)56-36/h21-36,44,46-52H,9-19H2,1-8H3/t21-,22+,23-,24+,25-,26-,27-,28+,29-,30+,31+,32-,33-,34-,35-,36+,39+,40-,41+,42-,43+/m0/s1
InChIKey	SMZYCXAYGPGYRS-NGTUZWGPSA-N
Smiles	CC(=O)OC1C(COC(C1O)OC2CCC34CC35CCC6(C(C(CC6(C5CC(C4C2(C)C)OC7C(C(C(C(O7)CO)O)O)O)C)O)C8(CCC(O8)C(C)(C)O)C)C)O
Isomeric SMILES	CC(=O)O[C@H]1[C@@H](CO[C@H]([C@@H]1O)O[C@H]2CC[C@]34C[C@]35CC[C@@]6([C@H]([C@H](C[C@]6([C@@H]5C[C@@H]([C@H]4C2(C)C)O[C@H]7[C@@H]([C@H]([C@@H]([C@H](O7)CO)O)O)O)C)O)[C@]8(CC[C@H](O8)C(C)(C)O)C)C)O
PubChem CID	60148655
Molecular Weight	827

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

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

Analytical Chart:

Chemical and Physical Properties

Molecular Weight	827.000 g/mol
XLogP3	1.800
Hydrogen Bond Donor Count	8
Hydrogen Bond Acceptor Count	15
Rotatable Bond Count	9
Exact Mass	826.471 Da
Monoisotopic Mass	826.471 Da
Topological Polar Surface Area	234.000 Å²
Heavy Atom Count	58
Formal Charge	0
Complexity	1580.000
Isotope Atom Count	0
Defined Atom Stereocenter Count	21
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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