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

CAS: 78574-94-4 Cat. No.: C405526 Formula: C₃₀H₅₀O₅ Peso molecolare: 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

Sinonimi

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

Specifiche e purezza

≥98%

Condizioni di conservazione di stoccaggio

Store at 2-8°C,Protected from light

Spedito in

Wet ice

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

Tipo di azione

ACTIVATOR

Purezza

≥98%

Nomi e identificatori

• Pubchem Sid: 504767537
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/504767537
• Sorrisi canonici: 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
• Isomeri 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 molecolare: 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
    • Classe Prenol lipids
      • Subclass Terpene glycosides
        • Level5 Triterpene glycosides
          • Level6 Triterpene saponins

• Kingdom: Organic compounds
• Superclass: Lipids and lipid-like molecules
• Classe: 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
• Descrizione: 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

Obiettivi associati (umani)

TERT Tchem Telomerase reverse transcriptase (2428 Activities)

Discover Target: TERT

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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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Meccanismi d'azione

Proprietà chimiche e fisiche

• Sensibilità: Heat & light Sensitive
• Rotazione specifica [α]: 49° (C=1.37,MeOH)
• Punto di fusione (°C): 241 °C
• Peso molecolare: 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