Protopanaxatriol - analytical standard, ≥95%(HPLC) , CAS No.1453-93-6

CAS: 1453-93-6 Cat. No.: P115729 Summenformel: C₃₀H₅₂O₄ Molekulargewicht: 476.73

GRADE & PURITY Analytical standard, ≥95%(HPLC)

Synonyms

Protopanaxatriol, analytical standard | SCHEMBL457911 | MFCD01861517 | Dammar-24-ene-3,6,12,20-tetrol, (3beta,6alpha,12beta,20R)- | 20(R)-APPT | HY-N0798 | (20r)-protopanaxatriol | AKOS040756997 | (3S,5R,6S,8R,9R,10R,12R,13R,14R,17S)-17-[(2R)-2-hydroxy-6-

Storage

Store at 2-8°C

Shipped In

Wet ice

Specifications

Synonyme

Protopanaxatriol, analytical standard | SCHEMBL457911 | MFCD01861517 | Dammar-24-ene-3,6,12,20-tetrol, (3beta,6alpha,12beta,20R)- | 20(R)-APPT | HY-N0798 | (20r)-protopanaxatriol | AKOS040756997 | (3S,5R,6S,8R,9R,10R,12R,13R,14R,17S)-17-[(2R)-2-hydroxy-6-

Spezifikationen & Reinheit

analytical standard, ≥95%(HPLC)

Storage

Store at 2-8°C

Verschickt in

Wet ice

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

Note

Analytischer Standard

Reinheit

≥95%(HPLC)

Namen und Kennungen

• Pubchem Sid: 528770369
• Kanonisches Lächeln: CC(=CCCC(C)(C1CCC2(C1C(CC3C2(CC(C4C3(CCC(C4(C)C)O)C)O)C)O)C)O)C
• IUPAC Name: (3S,5R,6S,8R,9R,10R,12R,13R,14R,17S)-17-[(2R)-2-hydroxy-6-methylhept-5-en-2-yl]-4,4,8,10,14-pentamethyl-2,3,5,6,7,9,11,12,13,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthrene-3,6,12-triol
• InChIKey: SHCBCKBYTHZQGZ-DLHMIPLTSA-N
• INCHI: 1S/C30H52O4/c1-18(2)10-9-13-30(8,34)19-11-15-28(6)24(19)20(31)16-22-27(5)14-12-23(33)26(3,4)25(27)21(32)17-29(22,28)7/h10,19-25,31-34H,9,11-17H2,1-8H3/t19-,20+,21-,22+,23-,24-,25-,27+,28+,29+,30+/m0/s1
• Isomere SMILES: CC(=CCC[C@](C)([C@H]1CC[C@@]2([C@@H]1[C@@H](C[C@H]3[C@]2(C[C@@H]([C@@H]4[C@@]3(CC[C@@H](C4(C)C)O)C)O)C)O)C)O)C
• Molekulargewicht: 476.73
• Reaxy-Rn: 48405371
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=48405371&ln=

Taxonomic Classification

Taxonomy Tree

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

• Kingdom: Organic compounds
• Superclass: Lipids and lipid-like molecules
• Klasse: Prenol lipids
• Subclass: Triterpenoids
• Intermediate Tree Nodes: Not available
• Direct Parent: Triterpenoids
• Alternative Parents: 6-hydroxysteroids 3-beta-hydroxysteroids 14-alpha-methylsteroids 12-hydroxysteroids Tertiary alcohols Secondary alcohols Cyclic alcohols and derivatives Polyols Hydrocarbon derivatives
• Molecular Framework: Aliphatic homopolycyclic compounds
• Substituents: Triterpenoid - 20-hydroxysteroid - 3-hydroxysteroid - 12-hydroxysteroid - 6-hydroxysteroid - Hydroxysteroid - 14-alpha-methylsteroid - 3-beta-hydroxysteroid - Steroid - Cyclic alcohol - Tertiary alcohol - Secondary alcohol - Polyol - Organooxygen compound - Alcohol - Organic oxygen compound - Hydrocarbon derivative - Aliphatic homopolycyclic compound
• Beschreibung: 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

Zugehörige Ziele (menschlich)

PPARG Tclin Peroxisome proliferator-activated receptor gamma (15191 Activities)

Discover Target: PPARG

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

HL-60 (67320 Activities)

Explore this target

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

HepG2 (196354 Activities)

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

Wirkungsmechanismen

Chemische und physikalische Eigenschaften

• Molekulargewicht: 476.700 g/mol
• XLogP3: 5.900
• Hydrogen Bond Donor Count: 4
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 4
• Exact Mass: 476.387 Da
• Monoisotopic Mass: 476.387 Da
• Topological Polar Surface Area: 80.900 Ų
• Heavy Atom Count: 34
• Formal Charge: 0
• Complexity: 817.000
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 11
• 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