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

CAS: 78574-94-4 Cat. No.: C405526 Summenformel: C₃₀H₅₀O₅ Molekulargewicht: 490.73

QUALITÄT & REINHEIT ≥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

Spezifikationen

Synonyme

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

Spezifikationen & Reinheit

≥98%

Storage

Store at 2-8°C,Protected from light

Verschickt in

Wet ice

Dieses Produkt erfordert Kühlkettenversand. Grundversand und andere Economy-Optionen sind nicht verfügbar.

Aktionsart

ACTIVATOR

Reinheit

≥98%

Namen und Kennungen

Pubchem Sid

504767537

Pubchem Sid Url

https://pubchem.ncbi.nlm.nih.gov/substance/504767537

Kanonisches Lächeln

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

Isomere 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

Molekulargewicht

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
    • Klasse Prenol lipids
      • Subclass Terpene glycosides
        • Ebene5 Triterpene glycosides
          • Ebene6 Triterpene saponins

• Kingdom: Organic compounds
• Superclass: Lipids and lipid-like molecules
• Klasse: 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
• Beschreibung: 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

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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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Wirkungsmechanismen

Chemische und physikalische Eigenschaften

• Empfindlichkeit: Heat & light Sensitive
• Spezifische Drehung [α]: 49° (C=1.37,MeOH)
• Schmelzpunkt (°C): 241 °C
• Molekulargewicht: 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