Tsugaric acid A - ≥98% , CAS No.174391-64-1

CAS: 174391-64-1 Cat. No.: T664660 Formula: C₃₂H₅₀O₄ Peso molecolare: 498.74

GRADE & PURITY ≥98%

Synonyms

Tsugaric acid A | Acetyl Trametenolic Acid | (2R)-2-[(3S,5R,10S,13R,14R,17R)-3-Acetyloxy-4,4,10,13,14-pentamethyl-2,3,5,6,7,11,12,15,16,17-decahydro-1H-cyclopenta[a]phenanthren-17-yl]-6-methylhept-5-enoic acid | (2R)-2-((3S,5R,10S,13R,14R,17R)-3-Acetyloxy

Storage

Protected from light,Store at -20°C

Shipped In

Ice chest + Ice pads

Panoramica

5-(Hydroxymethyl)uracil is a product of oxidative DNA damage and is capable of enhancing or inhibiting potential epigenetic markers for transcription by bacterial RNA polymerases.

Specifications

Sinonimi

Tsugaric acid A | Acetyl Trametenolic Acid | (2R)-2-[(3S,5R,10S,13R,14R,17R)-3-Acetyloxy-4,4,10,13,14-pentamethyl-2,3,5,6,7,11,12,15,16,17-decahydro-1H-cyclopenta[a]phenanthren-17-yl]-6-methylhept-5-enoic acid | (2R)-2-((3S,5R,10S,13R,14R,17R)-3-Acetyloxy

Specifiche e purezza

≥98%

Condizioni di conservazione di stoccaggio

Protected from light,Store at -20°C

Spedito in

Ice chest + Ice pads

Questo prodotto richiede spedizione a catena fredda. I servizi di terra e altri servizi economici non sono disponibili.

Purezza

≥98%

Nomi e identificatori

• Pubchem Sid: 528767549
• Sorrisi canonici: CC(=CCCC(C1CCC2(C1(CCC3=C2CCC4C3(CCC(C4(C)C)OC(=O)C)C)C)C)C(=O)O)C
• IUPAC Name: (2R)-2-[(3S,5R,10S,13R,14R,17R)-3-acetyloxy-4,4,10,13,14-pentamethyl-2,3,5,6,7,11,12,15,16,17-decahydro-1H-cyclopenta[a]phenanthren-17-yl]-6-methylhept-5-enoic acid
• InChIKey: FIWGZIBLJWZUEA-NFOHWCJDSA-N
• INCHI: 1S/C32H50O4/c1-20(2)10-9-11-22(28(34)35)23-14-18-32(8)25-12-13-26-29(4,5)27(36-21(3)33)16-17-30(26,6)24(25)15-19-31(23,32)7/h10,22-23,26-27H,9,11-19H2,1-8H3,(H,34,35)/t22-,23-,26+,27+,30-,31-,32+/m1/s1
• Isomeri SMILES: CC(=CCC[C@H]([C@H]1CC[C@@]2([C@@]1(CCC3=C2CC[C@@H]4[C@@]3(CC[C@@H](C4(C)C)OC(=O)C)C)C)C)C(=O)O)C
• Peso molecolare: 498.74

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Lipids and lipid-like molecules
    • Classe Prenol lipids
      • Subclass Triterpenoids

• Kingdom: Organic compounds
• Superclass: Lipids and lipid-like molecules
• Classe: Prenol lipids
• Subclass: Triterpenoids
• Intermediate Tree Nodes: Not available
• Direct Parent: Triterpenoids
• Alternative Parents: Bile acids, alcohols and derivatives Steroid esters Steroid acids 14-alpha-methylsteroids Medium-chain fatty acids Unsaturated fatty acids Dicarboxylic acids and derivatives Carboxylic acid esters Carboxylic acids Organic oxides Hydrocarbon derivatives Carbonyl compounds
• Molecular Framework: Aliphatic homopolycyclic compounds
• Substituents: Triterpenoid - Bile acid, alcohol, or derivatives - Steroid ester - Steroid acid - 14-alpha-methylsteroid - Steroid - Medium-chain fatty acid - Dicarboxylic acid or derivatives - Fatty acyl - Unsaturated fatty acid - Fatty acid - Carboxylic acid ester - Carboxylic acid - Carboxylic acid derivative - Organic oxide - Organooxygen compound - Hydrocarbon derivative - Organic oxygen compound - Carbonyl group - Aliphatic homopolycyclic compound
• Descrizione: This compound belongs to the class of organic compounds known as triterpenoids. These are terpene molecules containing six isoprene units.
• 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

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Meccanismi d'azione

Proprietà chimiche e fisiche

• Solubilità: DMSO: 4.99 mg/mL (10.01 mM)
• Sensibilità: Light sensitive
• Peso molecolare: 498.700 g/mol
• XLogP3: 8.000
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 7
• Exact Mass: 498.371 Da
• Monoisotopic Mass: 498.371 Da
• Topological Polar Surface Area: 63.600 Ų
• Heavy Atom Count: 36
• Formal Charge: 0
• Complexity: 969.000
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 7
• 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