Taraxastérol - Moligand™, ≥97% , CAS No.1059-14-9

CAS: 1059-14-9 Cat. No.: T299477 Formule: C₃₀H₅₀O Poids moléculaire: 426.73 PubChem CID: 115250

GRADE & PURITY Moligand™, ≥97%

Synonyms

LMPR0106180006 | (3.BETA.,18.ALPHA.,19.ALPHA.)-URS-20(30)-EN-3-OL | EN300-122379 | EX-A8003F | 2-METHYL-5-(MORPHOLINOSULFONYL)-3-FUROICACID | 64SK2ERN9P | AKOS016009424 | CHEBI:9401 | taraxasterin | taraxast-20(30)-en-3beta-ol | (3S,4aR,6aR,6aR,6bR,8aR,12

Storage

A conserver entre 2 et 8°C

Shipped In

Glace humide

Specifications

Synonymes

LMPR0106180006 | (3.BETA.,18.ALPHA.,19.ALPHA.)-URS-20(30)-EN-3-OL | EN300-122379 | EX-A8003F | 2-METHYL-5-(MORPHOLINOSULFONYL)-3-FUROICACID | 64SK2ERN9P | AKOS016009424 | CHEBI:9401 | taraxasterin | taraxast-20(30)-en-3beta-ol | (3S,4aR,6aR,6aR,6bR,8aR,12

Spécifications et pureté

Moligand™, ≥97%

Conditions de stockage de stockage

A conserver entre 2 et 8°C

Expédié en

Glace humide

Grade

Moligand™

Pureté

≥97%

Noms et identifiants

Pubchem Sid

504756745

Pubchem Sid Url

https://pubchem.ncbi.nlm.nih.gov/substance/504756745

Sourires canoniques

CC1C2C3CCC4C5(CCC(C(C5CCC4(C3(CCC2(CCC1=C)C)C)C)(C)C)O)C

IUPAC Name

(3S,4aR,6aR,6aR,6bR,8aR,12S,12aR,14aR,14bR)-4,4,6a,6b,8a,12,14b-heptamethyl-11-methylidene-1,2,3,4a,5,6,6a,7,8,9,10,12,12a,13,14,14a-hexadecahydropicen-3-ol

InChIKey

XWMMEBCFHUKHEX-ZJJHUPNDSA-N

INCHI

1S/C30H50O/c1-19-11-14-27(5)17-18-29(7)21(25(27)20(19)2)9-10-23-28(6)15-13-24(31)26(3,4)22(28)12-16-30(23,29)8/h20-25,31H,1,9-18H2,2-8H3/t20-,21-,22+,23-,24+,25-,27-,28+,29-,30-/m1/s1

Isomères SMILES

C[C@H]1[C@@H]2[C@H]3CC[C@@H]4[C@]5(CC[C@@H](C([C@@H]5CC[C@]4([C@@]3(CC[C@]2(CCC1=C)C)C)C)(C)C)O)C

PubChem CID

115250

Poids moléculaire

426.73

Taxonomic Classification

Taxonomy Tree

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

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

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

Propriétés chimiques et physiques

• Solubilité: Ethanol : 5.5 mg/mL (12.89 mM; ultrasonic and warming and heat to 50°C) DMSO : 1 mg/mL (2.34 mM; ultrasonic and heat to 80°C)
• Sensibilité: light sensitive
• Poids moléculaire: 426.700 g/mol
• XLogP3: 9.100
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 0
• Exact Mass: 426.386 Da
• Monoisotopic Mass: 426.386 Da
• Topological Polar Surface Area: 20.200 Ų
• Heavy Atom Count: 31
• Formal Charge: 0
• Complexity: 766.000
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 10
• 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