15R-TIC - Moligand™ , CAS No.175169-68-3

CAS: 175169-68-3 Cat. No.: R607072 PubChem CID: 9821452

GRADE & PURITY Moligand™

Storage

Room temperature

Specifications

Spécifications et pureté

Moligand™

Conditions de stockage de stockage

Room temperature

Grade

Moligand™

Noms et identifiants

Sourires canoniques

OC(=O)CCCCC1=C[C@@H]2[C@H](C1)[C@H]([C@@H](C2)O)/C=C/[C@@H](Cc1cccc(c1)C)O

IUPAC Name

5-[(3aS,5R,6R,6aS)-5-hydroxy-6-[(E,3R)-3-hydroxy-4-(3-methylphenyl)but-1-enyl]-1,3a,4,5,6,6a-hexahydropentalen-2-yl]pentanoic acid

InChIKey

WECZQLFTKNIXDD-RNJUVHPUSA-N

INCHI

1S/C24H32O4/c1-16-5-4-7-17(11-16)13-20(25)9-10-21-22-14-18(6-2-3-8-24(27)28)12-19(22)15-23(21)26/h4-5,7,9-12,19-23,25-26H,2-3,6,8,13-15H2,1H3,(H,27,28)/b10-9+/t19-,20-,21+,22-,23+/m0/s1

Isomères SMILES

CC1=CC(=CC=C1)C[C@H](/C=C/[C@H]2[C@@H](C[C@H]3[C@@H]2CC(=C3)CCCCC(=O)O)O)O

PubChem CID

9821452

Taxonomic Classification

Taxonomy Tree

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

• Kingdom: Organic compounds
• Superclass: Lipids and lipid-like molecules
• Classe: Prenol lipids
• Subclass: Monoterpenoids
• Intermediate Tree Nodes: Not available
• Direct Parent: Bicyclic monoterpenoids
• Alternative Parents: Aromatic monoterpenoids Medium-chain hydroxy acids and derivatives Medium-chain fatty acids Toluenes Hydroxy fatty acids Secondary alcohols Cyclic alcohols and derivatives Monocarboxylic acids and derivatives Carboxylic acids Organic oxides Hydrocarbon derivatives Carbonyl compounds
• Molecular Framework: Aromatic homopolycyclic compounds
• Substituents: Aromatic monoterpenoid - Bicyclic monoterpenoid - Medium-chain hydroxy acid - Medium-chain fatty acid - Toluene - Hydroxy fatty acid - Benzenoid - Fatty acyl - Monocyclic benzene moiety - Cyclic alcohol - Secondary alcohol - Monocarboxylic acid or derivatives - Carboxylic acid derivative - Carboxylic acid - Alcohol - Hydrocarbon derivative - Carbonyl group - Organic oxide - Organooxygen compound - Organic oxygen compound - Aromatic homopolycyclic compound
• Description: This compound belongs to the class of organic compounds known as bicyclic monoterpenoids. These are monoterpenoids containing exactly 2 rings, which are fused to each other.
• 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

Foire aux questions

What is Moligand??

Moligand? is one of Aladdin Scientific's premium product lines, formulated for high-purity applications across multiple workflows. Compared to standard grades in the same workflow, Moligand? products typically offer tighter specifications, more rigorous QC, and stronger lot-to-lot consistency.

How should this product be stored?

Store at room temperature.

What are the CAS number, molecular formula and molecular weight?

The CAS Number is 175169-68-3. InChIKey WECZQLFTKNIXDD-RNJUVHPUSA-N.

What documentation is provided?

Available product documentation, including Certificates of Analysis (COA), Safety Data Sheets (SDS), and specification sheets, is shown in the product document area. Document availability and access follow the current site policy.