Cycloastragenol - ≥98% , CAS No.78574-94-4

CAS: 78574-94-4 Cat. No.: C405526 Peso molecular: 490.73

GRADE & PURITY ≥98%

Synonyms

9,19-CYCLOLANOSTANE-3,6,16,25-TETROL, 20,24-EPOXY-, (3.BETA.,6.ALPHA.,16.BETA.,20R,24S)- | CHEBI:71314 | Cyclogalegigenin | Q3979404 | A864051 | Astramembrangenin | J427.606J | (3beta,6alpha,16beta,20R,24S)-20,24-Epoxy-9,19-cyclolanostane-3,6,16,25-tetrol

Storage

Store at 2-8°C,Protected from light

Shipped In

Wet ice

Specifications

Sinónimos

9, 19-CYCLOLANOSTANE-3, 6, 16, 25-TETROL, 20, 24-EPOXY-, (3.BETA., 6.ALPHA., 16.BETA., 20R, 24S)- | CHEBI:71314 | Cyclogalegigenin | Q3979404 | A864051 | Astramembrangenin | J427.606J | (3beta, 6alpha, 16beta, 20R, 24S)-20, 24-Epoxy-9, 19-cyclolanostane-3, 6, 16, 25-tetrol

Especificaciones y pureza

≥98%

Condiciones de almacenamiento de almacenamiento

Store at 2-8°C, Protected from light

Enviado en

Wet ice

Este producto requiere envío en cadena de frío. Los servicios terrestres y otros servicios económicos no están disponibles.

Pureza

≥98%

Nombres e identificadores

• Pubchem Sid: 504767537
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/504767537
• Sonrisas canónicas: CC1(C(CCC23C1C(CC4C2(C3)CCC5(C4(CC(C5C6(CCC(O6)C(C)(C)O)C)O)C)C)O)O)C
• IUPAC Name: (1S,3R,6S,8R,9S,11S,12S,14S,15R,16R)-15-[(2R,5S)-5-(2-hydroxypropan-2-yl)-2-methyloxolan-2-yl]-7,7,12,16-tetramethylpentacyclo[9.7.0.01,3.03,8.012,16]octadecane-6,9,14-triol
• InChIKey: WENNXORDXYGDTP-UOUCMYEWSA-N
• INCHI: 1S/C30H50O5/c1-24(2)20(33)8-11-30-16-29(30)13-12-26(5)23(28(7)10-9-21(35-28)25(3,4)34)18(32)15-27(26,6)19(29)14-17(31)22(24)30/h17-23,31-34H,8-16H2,1-7H3/t17-,18-,19-,20-,21-,22-,23-,26+,27-,28+,29-,30+/m0/s1
• Isómeros SMILES: C[C@]12CC[C@@]34C[C@@]35CC[C@@H](C([C@@H]5[C@H](C[C@H]4[C@@]1(C[C@@H]([C@@H]2[C@]6(CC[C@H](O6)C(C)(C)O)C)O)C)O)(C)C)O
• RTECS: GX8265000
• Peso molecular: 490.73
• Reaxy-Rn: 42764296
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=42764296&ln=

Taxonomic Classification

Taxonomy Tree

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

• Kingdom: Organic compounds
• Superclass: Lipids and lipid-like molecules
• Clase: Prenol lipids
• Subclass: Terpene glycosides
• Intermediate Tree Nodes: Triterpene glycosides
• Direct Parent: Triterpene saponins
• Alternative Parents: Triterpenoids Cycloartanols and derivatives 6-hydroxysteroids 3-beta-hydroxysteroids 16-beta-hydroxysteroids Tetrahydrofurans Tertiary alcohols Secondary alcohols Cyclic alcohols and derivatives Polyols Oxacyclic compounds Dialkyl ethers Hydrocarbon derivatives
• Molecular Framework: Aliphatic heteropolycyclic compounds
• Substituents: Triterpene saponin - Cycloartanol-skeleton - 9b,19-cyclo-lanostane-skeleton - Cycloartane-skeleton - Triterpenoid - 3-hydroxysteroid - 6-hydroxysteroid - Hydroxysteroid - 3-beta-hydroxysteroid - 16-beta-hydroxysteroid - 16-hydroxysteroid - Steroid - Tertiary alcohol - Tetrahydrofuran - Cyclic alcohol - Secondary alcohol - Polyol - Ether - Dialkyl ether - Oxacycle - Organoheterocyclic compound - Organooxygen compound - Alcohol - Organic oxygen compound - Hydrocarbon derivative - Aliphatic heteropolycyclic compound
• Descripción: 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: tetrol - oxolanes - pentacyclic triterpenoid - sapogenin

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

Objetivos asociados (humanos)

TERT Tchem Telomerase reverse transcriptase (2428 Activities)

Discover Target: TERT

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

DU-145 (51482 Activities)

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MCF7 (126967 Activities)

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A549 (127892 Activities)

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HEK293 (82097 Activities)

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HeLa (62764 Activities)

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Mecanismos de acción

Propiedades químicas y físicas

• Sensibilidad: Heat & light Sensitive
• Rotación específica [α]: 49° (C=1.37,MeOH)
• Punto de fusión (°C): 241 °C
• Peso molecular: 490.700 g/mol
• XLogP3: 4.400
• Hydrogen Bond Donor Count: 4
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 2
• Exact Mass: 490.366 Da
• Monoisotopic Mass: 490.366 Da
• Topological Polar Surface Area: 90.200 Ų
• Heavy Atom Count: 35
• Formal Charge: 0
• Complexity: 916.000
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 12
• 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