Mogroside V - Moligand™, 10mM in DMSO , CAS No.88901-36-4

CAS: 88901-36-4 Cat. No.: M426693 Fórmula: C₆₀H₁₀₂O₂₉ Peso molecular: 1287.43 Número EC: 695-005-3

GRADE & PURITY Moligand™, 10mM in DMSO

Synonyms

Q-100878 | SCHEMBL4572693 | (3.BETA.,9.BETA.,10.ALPHA.,11.ALPHA.,24R)-3-((6-O-.BETA.-D-GLUCOPYRANOSYL-.BETA.-D-GLUCOPYRANOSYL)OXY)-11,25-DIHYDROXY-9-METHYL-19-NORLANOST-5-EN-24-YL O-.BETA.-D-GLUCOPYRANOSYL-(1->2)-O-(.BETA.-D-GLUCOPYRANOSYL-(1->6))-.BETA.-

Storage

Store at -80°C

Shipped In

Dry ice packs + Cold packs

Specifications

Sinónimos

Q-100878 | SCHEMBL4572693 | (3.BETA.,9.BETA.,10.ALPHA.,11.ALPHA.,24R)-3-((6-O-.BETA.-D-GLUCOPYRANOSYL-.BETA.-D-GLUCOPYRANOSYL)OXY)-11,25-DIHYDROXY-9-METHYL-19-NORLANOST-5-EN-24-YL O-.BETA.-D-GLUCOPYRANOSYL-(1->2)-O-(.BETA.-D-GLUCOPYRANOSYL-(1->6))-.BETA.-

Especificaciones y pureza

Moligand™, 10mM in DMSO

Condiciones de almacenamiento de almacenamiento

Store at -80°C

Enviado en

Dry ice packs + Cold packs

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

Grado

Moligand™

Nombres e identificadores

• Pubchem Sid: 528774665
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/528774665
• Sonrisas canónicas: CC(CCC(C(C)(C)O)OC1C(C(C(C(O1)COC2C(C(C(C(O2)CO)O)O)O)O)O)OC3C(C(C(C(O3)CO)O)O)O)C4CCC5(C4(CC(C6(C5CC=C7C6CCC(C7(C)C)OC8C(C(C(C(O8)COC9C(C(C(C(O9)CO)O)O)O)O)O)O)C)O)C)C
• IUPAC Name: (2R,3R,4S,5S,6R)-2-[[(2R,3S,4S,5R,6R)-6-[[(3S,8S,9R,10R,11R,13R,14S,17R)-17-[(2R,5R)-5-[(2S,3R,4S,5S,6R)-4,5-dihydroxy-3-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-6-[[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]oxan-2-yl]oxy-6-hydroxy-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]-3,4,5-trihydroxyoxan-2-yl]methoxy]-6-(hydroxymethyl)oxane-3,4,5-triol
• InChIKey: GHBNZZJYBXQAHG-KUVSNLSMSA-N
• INCHI: 1S/C60H102O29/c1-23(9-13-35(57(4,5)79)88-55-50(89-54-49(78)43(72)38(67)29(20-63)84-54)45(74)40(69)31(86-55)22-81-52-47(76)42(71)37(66)28(19-62)83-52)24-15-16-58(6)32-12-10-25-26(60(32,8)33(64)17-59(24,58)7)11-14-34(56(25,2)3)87-53-48(77)44(73)39(68)30(85-53)21-80-51-46(75)41(70)36(65)27(18-61)82-51/h10,23-24,26-55,61-79H,9,11-22H2,1-8H3/t23-,24-,26-,27-,28-,29-,30-,31-,32+,33-,34+,35-,36-,37-,38-,39-,40-,41+,42+,43+,44+,45+,46-,47-,48-,49-,50-,51-,52-,53+,54+,55+,58+,59-,60+/m1/s1
• Isómeros SMILES: C[C@H](CC[C@H](C(C)(C)O)O[C@H]1[C@@H]([C@H]([C@@H]([C@H](O1)CO[C@H]2[C@@H]([C@H]([C@@H]([C@H](O2)CO)O)O)O)O)O)O[C@H]3[C@@H]([C@H]([C@@H]([C@H](O3)CO)O)O)O)[C@H]4CC[C@@]5([C@@]4(C[C@H]([C@@]6([C@H]5CC=C7[C@H]6CC[C@@H](C7(C)C)O[C@H]8[C@@H]([C@H]([C@@H]([C@H](O8)CO[C@H]9[C@@H]([C@H]([C@@H]([C@H](O9)CO)O)O)O)O)O)O)C)O)C)C
• Peso molecular: 1287.43
• Reaxy-Rn: 40669770
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=40669770&ln=

Taxonomic Classification

Taxonomy Tree

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

• Kingdom: Organic compounds
• Superclass: Lipids and lipid-like molecules
• Clase: Steroids and steroid derivatives
• Subclass: Steroidal glycosides
• Intermediate Tree Nodes: Steroidal saponins
• Direct Parent: Cucurbitacin glycosides
• Alternative Parents: Triterpenoids Cucurbitacins Oligosaccharides 11-alpha-hydroxysteroids 14-alpha-methylsteroids Delta-5-steroids Alkyl glycosides O-glycosyl compounds Oxanes Tertiary alcohols Cyclic alcohols and derivatives Secondary alcohols Polyols Acetals Oxacyclic compounds Hydrocarbon derivatives Primary alcohols
• Molecular Framework: Aliphatic heteropolycyclic compounds
• Substituents: Cucurbitacin glycoside skeleton - Cucurbitacin skeleton - Triterpenoid - 25-hydroxysteroid - Oligosaccharide - 14-alpha-methylsteroid - Hydroxysteroid - 11-hydroxysteroid - 11-alpha-hydroxysteroid - Delta-5-steroid - Fatty acyl glycoside - Alkyl glycoside - O-glycosyl compound - Glycosyl compound - Oxane - Fatty acyl - Tertiary alcohol - Cyclic alcohol - Secondary alcohol - Polyol - Acetal - Organoheterocyclic compound - Oxacycle - Hydrocarbon derivative - Organic oxygen compound - Organooxygen compound - Alcohol - Primary alcohol - Aliphatic heteropolycyclic compound
• Descripción: 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

Mecanismos de acción

Propiedades químicas y físicas

• Peso molecular: 1287.400 g/mol
• XLogP3: -3.700
• Hydrogen Bond Donor Count: 19
• Hydrogen Bond Acceptor Count: 29
• Rotatable Bond Count: 20
• Exact Mass: 1286.65 Da
• Monoisotopic Mass: 1286.65 Da
• Topological Polar Surface Area: 477.000 Ų
• Heavy Atom Count: 89
• Formal Charge: 0
• Complexity: 2360.000
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 35
• 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

Referencias

1. Jinzhe Li, Yuxuan Huang, Xinhui Peng, Wenwen Luo, Munkh-Amgalan Gantumur, Zhanmei Jiang, Juncai Hou.  (2023)  Physical treatment synergized with natural surfactant for improving gas–water interfacial behavior and foam characteristics of α-lactalbumin.  ULTRASONICS SONOCHEMISTRY,      [PMID:36965313] [10.1016/j.ultsonch.2023.106369]

2. Jinzhe Li, Yuxuan Huang, Wenjuan Zhang, Akhunzada Bilawal, Narantuya Sukhbaatar, Batsukh Tsembeltsogt, Zhanmei Jiang, Zhishen Mu.  (2022)  Insight into binding mechanism between three whey proteins and mogroside V by multi-spectroscopic and silico methods: Impacts on structure and foaming properties.  FOOD HYDROCOLLOIDS,      [PMID:] [10.1016/j.foodhyd.2022.108207]

3. Jinzhe Li, QiuWan Jiang, Ruyi Zhang, Shiyi Guo, Zhanmei Jiang, Juncai Hou.  (2024)  Insight into the mechanism of synergy of ultrasound and high pressure homogenization on the emulsion stability and interfacial behaviors of α-lactalbumin with mogroside V.  Food Bioscience,      [PMID:] [10.1016/j.fbio.2024.104130]