Eucalmaidin E - ≥98% , CAS No.1187303-40-7

CAS: 1187303-40-7 Cat. No.: E966267 PubChem CID: 91895372

GRADE & PURITY ≥98%

Storage

Room temperature

Specifications

Specifications & Purity

≥98%

Storage

Room temperature

Purity

≥98%

Names and Identifiers

• Canonical Smiles: CC(C)(C1CCC(=CC1)C(=O)OCC2C(C(C(C(O2)OC(=O)C3=CCC(CC3)C(C)(C)O)O)O)O)O
• IUPAC Name: [(2R,3S,4S,5R,6S)-3,4,5-trihydroxy-6-[(4R)-4-(2-hydroxypropan-2-yl)cyclohexene-1-carbonyl]oxyoxan-2-yl]methyl (4R)-4-(2-hydroxypropan-2-yl)cyclohexene-1-carboxylate
• InChIKey: JOLLIDAUJSAZHE-SKNUFNKISA-N
• INCHI: 1S/C26H40O10/c1-25(2,32)16-9-5-14(6-10-16)22(30)34-13-18-19(27)20(28)21(29)24(35-18)36-23(31)15-7-11-17(12-8-15)26(3,4)33/h5,7,16-21,24,27-29,32-33H,6,8-13H2,1-4H3/t16-,17-,18+,19+,20-,21+,24-/m0/s1
• Isomeric SMILES: CC(C)([C@@H]1CCC(=CC1)C(=O)OC[C@@H]2[C@H]([C@@H]([C@H]([C@@H](O2)OC(=O)C3=CC[C@@H](CC3)C(C)(C)O)O)O)O)O
• Alternate CAS: 1187303-40-7
• PubChem CID: 91895372
• MeSH Entry Terms: 1,6-di-O-((R)-oleuropeyl)-beta-D-glucopyranose;cuniloside B

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Lipids and lipid-like molecules
    • Class Saccharolipids

• Kingdom: Organic compounds
• Superclass: Lipids and lipid-like molecules
• Class: Saccharolipids
• Subclass: Not available
• Intermediate Tree Nodes: Not available
• Direct Parent: Saccharolipids
• Alternative Parents: Terpene glycosides Monocyclic monoterpenoids Menthane monoterpenoids Oxanes Monosaccharides Dicarboxylic acids and derivatives Tertiary alcohols Enoate esters Secondary alcohols Polyols Oxacyclic compounds Acetals Organic oxides Hydrocarbon derivatives Carbonyl compounds
• Molecular Framework: Aliphatic heteromonocyclic compounds
• Substituents: Saccharolipid - Terpene glycoside - Monocyclic monoterpenoid - Monoterpenoid - P-menthane monoterpenoid - Dicarboxylic acid or derivatives - Monosaccharide - Oxane - Alpha,beta-unsaturated carboxylic ester - Tertiary alcohol - Enoate ester - Secondary alcohol - Carboxylic acid ester - Polyol - Organoheterocyclic compound - Oxacycle - Carboxylic acid derivative - Acetal - Organooxygen compound - Hydrocarbon derivative - Organic oxide - Organic oxygen compound - Carbonyl group - Alcohol - Aliphatic heteromonocyclic compound
• Description: This compound belongs to the class of organic compounds known as saccharolipids. These are compounds in which fatty acids are linked directly to a sugar backbone, forming structures that are compatible with membrane bilayers. In the saccharolipids, a sugar substitutes for the glycerol backbone that is present in glycerolipids and glycerophospholipids. The most familiar saccharolipids contain an acylated glucosamine. In contrast to others glycolipids, the fatty acid is not glycosidically linked to the sugar moiety.
• 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

Chemical and Physical Properties

• Molecular Weight: 512.600 g/mol
• XLogP3: 0.800
• Hydrogen Bond Donor Count: 5
• Hydrogen Bond Acceptor Count: 10
• Rotatable Bond Count: 9
• Exact Mass: 512.262 Da
• Monoisotopic Mass: 512.262 Da
• Topological Polar Surface Area: 163.000 Ų
• Heavy Atom Count: 36
• Formal Charge: 0
• Complexity: 876.000
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 7
• 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