Sarsasapogenin - analytical standard, ≥98% , CAS No.82597-74-8

CAS: 82597-74-8 Cat. No.: S115865 Peso molecular: 416.64 PubChem CID: 3035446

GRADE & PURITY Analytical standard, ≥98%

Synonyms

GMBQZIIUCVWOCD-NRBCCYJRSA-N | AKOS016008812 | (1R,2S,4S,6R,7S,8R,9S,12S,13S)-5',7,9,13-tetramethylspiro[5-oxapentacyclo[10.8.0.02,9.04,8.013,18]icosane-6,2'-oxane]-16-ol | HY-N0073A | SCHEMBL8909434 | Sarsaponin | Spirostan-3-ol | A864377

Storage

Store at 2-8°C

Shipped In

Wet ice

Specifications

Sinónimos

GMBQZIIUCVWOCD-NRBCCYJRSA-N | AKOS016008812 | (1R, 2S, 4S, 6R, 7S, 8R, 9S, 12S, 13S)-5', 7, 9, 13-tetramethylspiro[5-oxapentacyclo[10.8.0.02, 9.04, 8.013, 18]icosane-6, 2'-oxane]-16-ol | HY-N0073A | SCHEMBL8909434 | Sarsaponin | Spirostan-3-ol | A864377

Especificaciones y pureza

analytical standard, ≥98%

Condiciones de almacenamiento de almacenamiento

Store at 2-8°C

Enviado en

Wet ice

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

Grado

Analytical standard

Pureza

≥98%

Nombres e identificadores

• Sonrisas canónicas: CC1CCC2(C(C3C(O2)CC4C3(CCC5C4CCC6C5(CCC(C6)O)C)C)C)OC1
• IUPAC Name: (1R,2S,4S,6R,7S,8R,9S,12S,13S)-5',7,9,13-tetramethylspiro[5-oxapentacyclo[10.8.0.02,9.04,8.013,18]icosane-6,2'-oxane]-16-ol
• InChIKey: GMBQZIIUCVWOCD-NRBCCYJRSA-N
• INCHI: 1S/C27H44O3/c1-16-7-12-27(29-15-16)17(2)24-23(30-27)14-22-20-6-5-18-13-19(28)8-10-25(18,3)21(20)9-11-26(22,24)4/h16-24,28H,5-15H2,1-4H3/t16?,17-,18?,19?,20+,21-,22-,23-,24-,25-,26-,27+/m0/s1
• Isómeros SMILES: C[C@H]1[C@H]2[C@H](C[C@@H]3[C@@]2(CC[C@H]4[C@H]3CCC5[C@@]4(CCC(C5)O)C)C)O[C@]16CCC(CO6)C
• PubChem CID: 3035446
• Peso molecular: 416.64

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: Spirostanes and derivatives 3-hydroxysteroids Ketals Oxanes Tetrahydrofurans Secondary alcohols Cyclic alcohols and derivatives Oxacyclic compounds Hydrocarbon derivatives
• Molecular Framework: Aliphatic heteropolycyclic compounds
• Substituents: Triterpenoid - Spirostane skeleton - 3-hydroxysteroid - Hydroxysteroid - Steroid - Ketal - Oxane - Cyclic alcohol - Tetrahydrofuran - Secondary alcohol - Oxacycle - Organoheterocyclic compound - Acetal - Organooxygen compound - Hydrocarbon derivative - Organic oxygen compound - Alcohol - Aliphatic heteropolycyclic compound
• Descripción: 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

Propiedades químicas y físicas

• Peso molecular: 416.600 g/mol
• XLogP3: 6.500
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 0
• Exact Mass: 416.329 Da
• Monoisotopic Mass: 416.329 Da
• Topological Polar Surface Area: 38.700 Ų
• Heavy Atom Count: 30
• Formal Charge: 0
• Complexity: 694.000
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 9
• Undefined Atom Stereocenter Count: 3
• Defined Bond Stereocenter Count: 0
• Undefined Bond Stereocenter Count: 0
• The total count of all stereochemical bonds: 0
• Covalently-Bonded Unit Count: 1