Mogroside I E1 - Moligand™, ≥98% , CAS No.88901-39-7

CAS: 88901-39-7 Cat. No.: M664453 Molecular Weight: 638.87

GRADE & PURITY Moligand™, ≥98%

Synonyms

(2R,3R,4S,5S,6R)-2-(((3S,8S,9R,10R,11R,13R,14S,17R)-17-((2R,5R)-5,6-Dihydroxy-6-methylheptan-2-yl)-11-hydroxy-4,4,9,13,14-pentamethyl-2,3,4,7,8,9,10,11,12,13,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-3-yl)oxy)-6-(hydroxymethyl)tetrahydro-2H-p

Storage

Protected from light,Store at -20°C

Shipped In

Ice chest + Ice pads

Overview

Mogroside I E1 is a triterpenoid glycoside and a nonsugar sweetener. Mogrosides are sweeter than sucrose.

Specifications

Synonyms

(2R, 3R, 4S, 5S, 6R)-2-(((3S, 8S, 9R, 10R, 11R, 13R, 14S, 17R)-17-((2R, 5R)-5, 6-Dihydroxy-6-methylheptan-2-yl)-11-hydroxy-4, 4, 9, 13, 14-pentamethyl-2, 3, 4, 7, 8, 9, 10, 11, 12, 13, 14, 15, 16, 17-tetradecahydro-1H-cyclopenta[a]phenanthren-3-yl)oxy)-6-(hydroxymethyl)tetrahydro-2H-p

Specifications & Purity

Moligand™, ≥98%

Storage

Protected from light, Store at -20°C

Shipped In

Ice chest + Ice pads

This product requires cold chain shipping. Ground and other economy services are not available.

Grade

Moligand™

Purity

≥98%

Names and Identifiers

• Canonical Smiles: CC(CCC(C(C)(C)O)O)C1CCC2(C1(CC(C3(C2CC=C4C3CCC(C4(C)C)OC5C(C(C(C(O5)CO)O)O)O)C)O)C)C
• IUPAC Name: (2R,3R,4S,5S,6R)-2-[[(3S,8S,9R,10R,11R,13R,14S,17R)-17-[(2R,5R)-5,6-dihydroxy-6-methylheptan-2-yl]-11-hydroxy-4,4,9,13,14-pentamethyl-2,3,7,8,10,11,12,15,16,17-decahydro-1H-cyclopenta[a]phenanthren-3-yl]oxy]-6-(hydroxymethyl)oxane-3,4,5-triol
• InChIKey: LLZGAVAIPZROOJ-FDWAMWGASA-N
• INCHI: 1S/C36H62O9/c1-19(9-13-25(38)33(4,5)43)20-15-16-34(6)24-12-10-21-22(36(24,8)26(39)17-35(20,34)7)11-14-27(32(21,2)3)45-31-30(42)29(41)28(40)23(18-37)44-31/h10,19-20,22-31,37-43H,9,11-18H2,1-8H3/t19-,20-,22-,23-,24+,25-,26-,27+,28-,29+,30-,31+,34+,35-,36+/m1/s1
• Isomeric SMILES: C[C@H](CC[C@H](C(C)(C)O)O)[C@H]1CC[C@@]2([C@@]1(C[C@H]([C@@]3([C@H]2CC=C4[C@H]3CC[C@@H](C4(C)C)O[C@H]5[C@@H]([C@H]([C@@H]([C@H](O5)CO)O)O)O)C)O)C)C
• Alternate CAS: 88901-39-7
• Molecular Weight: 638.87

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Lipids and lipid-like molecules
    • Class Steroids and steroid derivatives
      • Subclass Steroidal glycosides
        • Level5 Steroidal saponins
          • Level6 Cucurbitacin glycosides

• Kingdom: Organic compounds
• Superclass: Lipids and lipid-like molecules
• Class: Steroids and steroid derivatives
• Subclass: Steroidal glycosides
• Intermediate Tree Nodes: Steroidal saponins
• Direct Parent: Cucurbitacin glycosides
• Alternative Parents: Triterpenoids Cucurbitacins 11-alpha-hydroxysteroids 14-alpha-methylsteroids Delta-5-steroids O-glycosyl compounds Oxanes Monosaccharides Tertiary alcohols Secondary alcohols Cyclic alcohols and derivatives Polyols Acetals Oxacyclic compounds Primary alcohols Hydrocarbon derivatives
• Molecular Framework: Aliphatic heteropolycyclic compounds
• Substituents: Cucurbitacin glycoside skeleton - Cucurbitacin skeleton - Triterpenoid - 25-hydroxysteroid - 24-hydroxysteroid - 14-alpha-methylsteroid - 11-hydroxysteroid - 11-alpha-hydroxysteroid - Hydroxysteroid - Delta-5-steroid - Glycosyl compound - O-glycosyl compound - Oxane - Monosaccharide - Cyclic alcohol - Tertiary alcohol - Secondary alcohol - Polyol - Acetal - Oxacycle - Organoheterocyclic compound - Primary alcohol - Hydrocarbon derivative - Alcohol - Organooxygen compound - Organic oxygen compound - Aliphatic heteropolycyclic compound
• Description: This compound belongs to the class of organic compounds known as cucurbitacin glycosides. These are polycyclic compounds containing a carbohydrate derivative glycosidically linked to a curcubitane nucleus.
• 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

• Sensitivity: Light sensitive
• Molecular Weight: 638.900 g/mol
• XLogP3: 3.800
• Hydrogen Bond Donor Count: 7
• Hydrogen Bond Acceptor Count: 9
• Rotatable Bond Count: 8
• Exact Mass: 638.439 Da
• Monoisotopic Mass: 638.439 Da
• Topological Polar Surface Area: 160.000 Ų
• Heavy Atom Count: 45
• Formal Charge: 0
• Complexity: 1110.000
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 15
• 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