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

CAS: 174391-64-1 Cat. No.: T664660 Fórmula: C₃₂H₅₀O₄ Peso molecular: 498.74

GRAU & PUREZA ≥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

Visão geral

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.

Especificações

Sinónimos

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

Especificações e pureza

≥98%

Condições de armazenamento de armazenamento

Protected from light,Store at -20°C

Enviado em

Ice chest + Ice pads

Este produto requer transporte de cadeia fria. Serviços terrestres e outros serviços econômicos não estão disponíveis.

Pureza

≥98%

Nomes e identificadores

Pubchem Sid

528767549

Sorrisos canónicos

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

SMILES isoméricas

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 molecular

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
• Descrição: 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

Alvos associados (humanos)

HL-60 (67320 Activities)

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Raji (5516 Activities)

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SiHa (2051 Activities)

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T-24 (2342 Activities)

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Ca-Ski (420 Activities)

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Alvos associados (não humanos)

Human gammaherpesvirus 4 (1538 Activities)

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Mecanismos de ação

Propriedades químicas e físicas

• Solubilidade: DMSO: 4.99 mg/mL (10.01 mM)
• Sensibilidade: Light sensitive
• Peso molecular: 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