Tenuifolin - 10mM in DMSO , CAS No.20183-47-5

CAS: 20183-47-5 Cat. No.: T422454 Molecular Weight: 680.83 PubChem CID: 21588226

GRADE & PURITY 10mM in DMSO

Synonyms

CCG-270367 | DTXSID401047766 | HMS3886D16 | HY-N0702 | s9087 | AC-34861 | T3736 | Olean-12-ene-23,28-dioic acid, 3-(beta-D-glucopyranosyloxy)-2,27-dihydroxy-, (2beta,3beta,4alpha)- | MFCD32004655 | AKOS037514857 | (2S,3R,4S,4aR,6aR,6bR,8aS,12aS,14aR,14bR)

Storage

Store at -80°C

Shipped In

Dry ice packs + Cold packs

Specifications

Synonyms

CCG-270367 | DTXSID401047766 | HMS3886D16 | HY-N0702 | s9087 | AC-34861 | T3736 | Olean-12-ene-23, 28-dioic acid, 3-(beta-D-glucopyranosyloxy)-2, 27-dihydroxy-, (2beta, 3beta, 4alpha)- | MFCD32004655 | AKOS037514857 | (2S, 3R, 4S, 4aR, 6aR, 6bR, 8aS, 12aS, 14aR, 14bR)

Specifications & Purity

10mM in DMSO

Storage

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.

Names and Identifiers

• Canonical Smiles: CC1(CCC2(CCC3(C(=CCC4C3(CCC5C4(CC(C(C5(C)C(=O)O)OC6C(C(C(C(O6)CO)O)O)O)O)C)C)C2C1)CO)C(=O)O)C
• IUPAC Name: (2S,3R,4S,4aR,6aR,6bR,8aS,12aS,14aR,14bR)-2-hydroxy-6b-(hydroxymethyl)-4,6a,11,11,14b-pentamethyl-3-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-1,2,3,4a,5,6,7,8,9,10,12,12a,14,14a-tetradecahydropicene-4,8a-dicarboxylic acid
• InChIKey: DBJLNNAUDGIUAE-YGIRLYIESA-N
• INCHI: 1S/C36H56O12/c1-31(2)10-11-35(30(45)46)12-13-36(17-38)18(19(35)14-31)6-7-22-32(3)15-20(39)27(34(5,29(43)44)23(32)8-9-33(22,36)4)48-28-26(42)25(41)24(40)21(16-37)47-28/h6,19-28,37-42H,7-17H2,1-5H3,(H,43,44)(H,45,46)/t19-,20-,21+,22+,23+,24+,25-,26+,27-,28-,32+,33+,34-,35-,36-/m0/s1
• Isomeric SMILES: C[C@@]12CC[C@@H]3[C@@]([C@H]1CC=C4[C@]2(CC[C@@]5([C@H]4CC(CC5)(C)C)C(=O)O)CO)(C[C@@H]([C@@H]([C@@]3(C)C(=O)O)O[C@H]6[C@@H]([C@H]([C@@H]([C@H](O6)CO)O)O)O)O)C
• RTECS: WY6625000
• PubChem CID: 21588226
• Molecular Weight: 680.83
• Reaxy-Rn: 1338635

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Lipids and lipid-like molecules
    • Class Prenol lipids
      • Subclass Terpene glycosides
        • Level5 Triterpene glycosides
          • Level6 Triterpene saponins

• Kingdom: Organic compounds
• Superclass: Lipids and lipid-like molecules
• Class: Prenol lipids
• Subclass: Terpene glycosides
• Intermediate Tree Nodes: Triterpene glycosides
• Direct Parent: Triterpene saponins
• Alternative Parents: Triterpenoids 12-alpha-hydroxysteroids Fatty acyl glycosides of mono- and disaccharides Hexoses O-glycosyl compounds Dicarboxylic acids and derivatives Oxanes Secondary alcohols Cyclic alcohols and derivatives Oxacyclic compounds Polyols Acetals Carboxylic acids Primary alcohols Carbonyl compounds Hydrocarbon derivatives Organic oxides
• Molecular Framework: Aliphatic heteropolycyclic compounds
• Substituents: Triterpene saponin - Triterpenoid - 12-hydroxysteroid - 15-hydroxysteroid - Hydroxysteroid - 12-alpha-hydroxysteroid - Steroid - Fatty acyl glycoside - Fatty acyl glycoside of mono- or disaccharide - Hexose monosaccharide - Glycosyl compound - O-glycosyl compound - Oxane - Fatty acyl - Monosaccharide - Dicarboxylic acid or derivatives - Cyclic alcohol - Secondary alcohol - Polyol - Carboxylic acid derivative - Carboxylic acid - Acetal - Organoheterocyclic compound - Oxacycle - Hydrocarbon derivative - Organooxygen compound - Carbonyl group - Alcohol - Primary alcohol - Organic oxygen compound - Organic oxide - Aliphatic heteropolycyclic compound
• Description: This compound belongs to the class of organic compounds known as triterpene saponins. These are glycosylated derivatives of triterpene sapogenins. The sapogenin moiety backbone is usually based on the oleanane, ursane, taraxastane, bauerane, lanostane, lupeol, lupane, dammarane, cycloartane, friedelane, hopane, 9b,19-cyclo-lanostane, cycloartane, or cycloartanol skeleton.
• 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.

DOI: 10.1186/s13321-016-0174-y

Chemical and Physical Properties

• Sensitivity: Light Sensitive,Hygroscopic,Heat Sensitive
• Melt Point(°C): 300 °C
• Molecular Weight: 680.800 g/mol
• XLogP3: 2.200
• Hydrogen Bond Donor Count: 8
• Hydrogen Bond Acceptor Count: 12
• Rotatable Bond Count: 6
• Exact Mass: 680.377 Da
• Monoisotopic Mass: 680.377 Da
• Topological Polar Surface Area: 214.000 Ų
• Heavy Atom Count: 48
• Formal Charge: 0
• Complexity: 1330.000
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 15
• 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