Soyasapogenol C - ≥99% , CAS No.595-14-2

CAS: 595-14-2 Cat. No.: S648635 Fórmula: C₃₀H₄₈O₂ Peso molecular: 440.70 PubChem CID: 3083637

CALIDAD & PUREZA ≥99%

Synonyms

UNII-35SAU9R0QU | AKOS040760718 | FS-7227 | OLEANA-12,21-DIENE-3beta,24-DIOL | SOYASAPOGENOL | Q27155033 | SoyasapogenolC | OLEANA-12,21-DIENE-3,23-DIOL, (3.BETA.,4.BETA.)- | Oleana-12,21-diene-3,23-diol, (3beta,4beta)- | SCHEMBL1050504 | Sapogenol C | 35

Storage

Protected from light,Store at -80°C

Shipped In

Dry ice packs + Cold packs

Descripción general

Soyasapogenol C is an oleanane-type triterpenoid. Soyasapogenol C exhibits anti- HSV-1 activity, with an IC 50 of 18.9 μM

In Vitro

Soyasapogenol C shows potent anti-HSV-1 activity (IC 50 =18.9 μM) with no cytotoxicity (CC 50 =921 μM). MCE has not independently confirmed the accuracy of these methods. They are for reference only.

Form:Solid

IC50& Target:IC50: 18.9 μM (HSV-1)

Especificaciones

Sinónimos

UNII-35SAU9R0QU | AKOS040760718 | FS-7227 | OLEANA-12,21-DIENE-3beta,24-DIOL | SOYASAPOGENOL | Q27155033 | SoyasapogenolC | OLEANA-12,21-DIENE-3,23-DIOL, (3.BETA.,4.BETA.)- | Oleana-12,21-diene-3,23-diol, (3beta,4beta)- | SCHEMBL1050504 | Sapogenol C | 35

Especificaciones y pureza

≥99%

Mecanismos bioquímicos y fisiológicos

Soyasapogenol C is an oleanane-type triterpenoid. Soyasapogenol C exhibits anti- HSV-1 activity, with an IC 50 of 18.9 μM.

Condiciones de almacenamiento de almacenamiento

Protected from light,Store at -80°C

Enviado en

Dry ice packs + Cold packs

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

Pureza

≥99%

Nombres e identificadores

Sonrisas canónicas

CC1(CC2C3=CCC4C5(CCC(C(C5CCC4(C3(CCC2(C=C1)C)C)C)(C)CO)O)C)C

IUPAC Name

(3S,4S,4aR,6aR,6bS,8aS,12aR,14aR,14bR)-4-(hydroxymethyl)-4,6a,6b,8a,11,11,14b-heptamethyl-1,2,3,4a,5,6,7,8,12,12a,14,14a-dodecahydropicen-3-ol

InChIKey

VNGUCOGHCJHFID-FLZFTVBESA-N

INCHI

1S/C30H48O2/c1-25(2)14-15-26(3)16-17-29(6)20(21(26)18-25)8-9-23-27(4)12-11-24(32)28(5,19-31)22(27)10-13-30(23,29)7/h8,14-15,21-24,31-32H,9-13,16-19H2,1-7H3/t21-,22+,23+,24-,26+,27-,28+,29+,30+/m0/s1

Isómeros SMILES

C[C@@]12CC[C@@]3(C(=CC[C@H]4[C@]3(CC[C@@H]5[C@@]4(CC[C@@H]([C@]5(C)CO)O)C)C)[C@@H]1CC(C=C2)(C)C)C

CAS alternativo

595-14-2

PubChem CID

3083637

Peso molecular

440.70

Taxonomic Classification

Taxonomy Tree

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

• Kingdom: Organic compounds
• Superclass: Lipids and lipid-like molecules
• Clase: Prenol lipids
• Subclass: Triterpenoids
• Intermediate Tree Nodes: Not available
• Direct Parent: Triterpenoids
• Alternative Parents: Steroids and steroid derivatives Secondary alcohols Cyclic alcohols and derivatives Primary alcohols Hydrocarbon derivatives
• Molecular Framework: Aliphatic homopolycyclic compounds
• Substituents: Triterpenoid - Steroid - Cyclic alcohol - Secondary alcohol - Organic oxygen compound - Hydrocarbon derivative - Primary alcohol - Organooxygen compound - Alcohol - Aliphatic homopolycyclic compound
• Descripción: This compound belongs to the class of organic compounds known as triterpenoids. These are terpene molecules containing six isoprene units.
• External Descriptors: triterpenoid

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

Propiedades químicas y físicas

• Peso molecular: 440.700 g/mol
• XLogP3: 8.200
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 1
• Exact Mass: 440.365 Da
• Monoisotopic Mass: 440.365 Da
• Topological Polar Surface Area: 40.500 Ų
• Heavy Atom Count: 32
• Formal Charge: 0
• Complexity: 855.000
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 9
• 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