Capsorubin - ≥90% , CAS No.470-38-2

CAS: 470-38-2 Cat. No.: C347188 Peso molecular: 600.87 PubChem CID: 5281229

GRADE & PURITY ≥90%

Synonyms

UNII-805VAB3L0H | DTXSID901018116 | CHEBI:3378 | AKOS040754968 | (2E,4E,6E,8E,10E,12E,14E,16E,18E)-1,20-Bis((1R,4S)-4-hydroxy-1,2,2-trimethylcyclopentyl)-4,8,13,17-tetramethylicosa-2,4,6,8,10,12,14,16,18-nonaene-1,20-dione | (3S,5R,3'S,5'R)-3,3'-dihydroxy

Storage

Protected from light,Store at -20°C,Argon charged

Shipped In

Ice chest + Ice pads

Specifications

Sinónimos

UNII-805VAB3L0H | DTXSID901018116 | CHEBI:3378 | AKOS040754968 | (2E, 4E, 6E, 8E, 10E, 12E, 14E, 16E, 18E)-1, 20-Bis((1R, 4S)-4-hydroxy-1, 2, 2-trimethylcyclopentyl)-4, 8, 13, 17-tetramethylicosa-2, 4, 6, 8, 10, 12, 14, 16, 18-nonaene-1, 20-dione | (3S, 5R, 3'S, 5'R)-3, 3'-dihydroxy

Especificaciones y pureza

≥90%

Condiciones de almacenamiento de almacenamiento

Protected from light, Store at -20°C, Argon charged

Enviado en

Ice chest + Ice pads

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

Pureza

≥90%

Nombres e identificadores

• Sonrisas canónicas: CC(=CC=CC=C(C)C=CC=C(C)C=CC(=O)C1(CC(CC1(C)C)O)C)C=CC=C(C)C=CC(=O)C2(CC(CC2(C)C)O)C
• IUPAC Name: (2E,4E,6E,8E,10E,12E,14E,16E,18E)-1,20-bis[(1R,4S)-4-hydroxy-1,2,2-trimethylcyclopentyl]-4,8,13,17-tetramethylicosa-2,4,6,8,10,12,14,16,18-nonaene-1,20-dione
• InChIKey: GVOIABOMXKDDGU-YUURSNASSA-N
• INCHI: 1S/C40H56O4/c1-29(17-13-19-31(3)21-23-35(43)39(9)27-33(41)25-37(39,5)6)15-11-12-16-30(2)18-14-20-32(4)22-24-36(44)40(10)28-34(42)26-38(40,7)8/h11-24,33-34,41-42H,25-28H2,1-10H3/b12-11+,17-13+,18-14+,23-21+,24-22+,29-15+,30-16+,31-19+,32-20+/t33-,34-,39-,40-/m0/s1
• Isómeros SMILES: C/C(=C\C=C\C=C(\C=C\C=C(\C=C\C(=O)[C@]1(C(C[C@@H](C1)O)(C)C)C)/C)/C)/C=C/C=C(/C=C/C(=O)[C@]2(C(C[C@@H](C2)O)(C)C)C)\C
• PubChem CID: 5281229
• Peso molecular: 600.87

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: Cyclopentanols Enones Acryloyl compounds Ketones Cyclic alcohols and derivatives Organic oxides Hydrocarbon derivatives
• Molecular Framework: Aliphatic homomonocyclic compounds
• Substituents: Triterpenoid - Cyclopentanol - Alpha,beta-unsaturated ketone - Enone - Cyclic alcohol - Acryloyl-group - Secondary alcohol - Ketone - Organic oxygen compound - Organic oxide - Hydrocarbon derivative - Organooxygen compound - Carbonyl group - Alcohol - Aliphatic homomonocyclic compound
• Descripción: This compound belongs to the class of organic compounds known as triterpenoids. These are terpene molecules containing six isoprene units.
• External Descriptors: C40 isoprenoids (tetraterpenes)

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

• Sensibilidad: Air sensitive； Light sensitive
• Peso molecular: 600.900 g/mol
• XLogP3: 10.300
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 12
• Exact Mass: 600.418 Da
• Monoisotopic Mass: 600.418 Da
• Topological Polar Surface Area: 74.600 Ų
• Heavy Atom Count: 44
• Formal Charge: 0
• Complexity: 1230.000
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 4
• Undefined Atom Stereocenter Count: 0
• Defined Bond Stereocenter Count: 9
• Undefined Bond Stereocenter Count: 0
• The total count of all stereochemical bonds: 9
• Covalently-Bonded Unit Count: 1