Rebaudioside M - 10mM in DMSO , CAS No.1220616-44-3

CAS: 1220616-44-3 Cat. No.: R420948 分子式: C₅₆H₉₀O₃₃ 分子量: 1291.29 PubChem CID: 92023628

GRADE & PURITY 10mM in DMSO

Synonyms

AC-34451 | Reb M | FQA8XMC4XJ | Reb-M | beta-D-glucopyranosyl-(1->2)-[beta-D-glucopyranosyl-(1->3)]-1-O-(13alpha-{[beta-D-glucopyranosyl-(1->2)-[beta-D-glucopyranosyl-(1->3)]-beta-D-glucopyranosyl]oxy}-18-oxo-5beta,8alpha,9beta,10alpha-kaur-16-en-18-yl)-b

Storage

Store at -80°C

Shipped In

Dry ice packs + Cold packs

概要

Information

Rebaudioside M, isolated fromStevia rebaudianaBertoni, is a natural non-caloric potential sweetener in food and beverage products.

Specifications

同義語

AC-34451 | Reb M | FQA8XMC4XJ | Reb-M | beta-D-glucopyranosyl-(1->2)-[beta-D-glucopyranosyl-(1->3)]-1-O-(13alpha-{[beta-D-glucopyranosyl-(1->2)-[beta-D-glucopyranosyl-(1->3)]-beta-D-glucopyranosyl]oxy}-18-oxo-5beta,8alpha,9beta,10alpha-kaur-16-en-18-yl)-b

仕様と純度

10mM in DMSO

生化学的・生理学的メカニズム

Rebaudioside M, isolated from Stevia rebaudiana Bertoni, is a natural non-caloric potential sweetener in food and beverage products.

保管条件

Store at -80°C

入荷

Dry ice packs + Cold packs

この製品は冷冷この冷このこの製品の運送が必要です。地上およびその他の経済サービスは利用できません。

製品の性質

ALogP

-6.97

HBD数

20

回転可能な結合

19

名前と識別子

パブケム・シド

528773323

カノニカル・スマイル

CC12CCCC(C1CCC34C2CCC(C3)(C(=C)C4)OC5C(C(C(C(O5)CO)O)OC6C(C(C(C(O6)CO)O)O)O)OC7C(C(C(C(O7)CO)O)O)O)(C)C(=O)OC8C(C(C(C(O8)CO)O)OC9C(C(C(C(O9)CO)O)O)O)OC1C(C(C(C(O1)CO)O)O)O

IUPAC Name

[(2S,3R,4S,5R,6R)-5-hydroxy-6-(hydroxymethyl)-3,4-bis[[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy]oxan-2-yl] (1R,4S,5R,9S,10R,13S)-13-[(2S,3R,4S,5R,6R)-5-hydroxy-6-(hydroxymethyl)-3,4-bis[[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy]oxan-2-yl]oxy-5,9-dimethyl-14-methylidenetetracyclo[11.2.1.01,10.04,9]hexadecane-5-carboxylate

InChIKey

GSGVXNMGMKBGQU-PHESRWQRSA-N

INCHI

1S/C56H90O33/c1-19-11-55-9-5-26-53(2,7-4-8-54(26,3)52(77)88-50-44(86-48-40(75)36(71)30(65)22(14-59)80-48)42(32(67)24(16-61)82-50)84-46-38(73)34(69)28(63)20(12-57)78-46)27(55)6-10-56(19,18-55)89-51-45(87-49-41(76)37(72)31(66)23(15-60)81-49)43(33(68)25(17-62)83-51)85-47-39(74)35(70)29(64)21(13-58)79-47/h20-51,57-76H,1,4-18H2,2-3H3/t20-,21-,22-,23-,24-,25-,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+,53-,54-,55-,56+/m1/s1

異性体SMILES

C[C@@]12CCC[C@@]([C@H]1CC[C@]34[C@H]2CC[C@](C3)(C(=C)C4)O[C@H]5[C@@H]([C@H]([C@@H]([C@H](O5)CO)O)O[C@H]6[C@@H]([C@H]([C@@H]([C@H](O6)CO)O)O)O)O[C@H]7[C@@H]([C@H]([C@@H]([C@H](O7)CO)O)O)O)(C)C(=O)O[C@H]8[C@@H]([C@H]([C@@H]([C@H](O8)CO)O)O[C@H]9[C@@H]([C@H]([C@@H]([C@H](O9)CO)O)O)O)O[C@H]1[C@@H]([C@H]([C@@H]([C@H](O1)CO)O)O)O

PubChem CID

92023628

分子量

1291.29

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Lipids and lipid-like molecules
    • 分類 Prenol lipids
      • Subclass Terpene glycosides
        • Level5 Diterpene glycosides
          • Level6 Steviol glycosides

• Kingdom: Organic compounds
• Superclass: Lipids and lipid-like molecules
• 分類: Prenol lipids
• Subclass: Terpene glycosides
• Intermediate Tree Nodes: Diterpene glycosides
• Direct Parent: Steviol glycosides
• Alternative Parents: Oligosaccharides Kaurane diterpenoids Fatty acyl glycosides O-glycosyl compounds Oxanes Secondary alcohols Carboxylic acid esters Polyols Oxacyclic compounds Monocarboxylic acids and derivatives Acetals Primary alcohols Organic oxides Hydrocarbon derivatives Carbonyl compounds
• Molecular Framework: Aliphatic heteropolycyclic compounds
• Substituents: Steviol glycoside - Oligosaccharide - Diterpenoid - Kaurane diterpenoid - Fatty acyl glycoside - Glycosyl compound - O-glycosyl compound - Fatty acyl - Oxane - Carboxylic acid ester - Secondary alcohol - Oxacycle - Monocarboxylic acid or derivatives - Organoheterocyclic compound - Acetal - Carboxylic acid derivative - Polyol - Organooxygen compound - Organic oxygen compound - Organic oxide - Alcohol - Hydrocarbon derivative - Carbonyl group - Primary alcohol - Aliphatic heteropolycyclic compound
• 説明: This compound belongs to the class of organic compounds known as steviol glycosides. These are prenol lipids containing a carbohydrate moiety glycosidically linked to a steviol (a diterpenoid based on a 13-Hydroxykaur-16-en-18-oic acid) 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

化学的性質と物理的性質

• DMSO（mg / mL） 最大溶解度: 100
• DMSO（mM） 最大溶解度: 77.4419379070542
• 水（mg / mL） 最大溶解度: -1
• 分子量: 1291.300 g/mol
• XLogP3: -6.000
• Hydrogen Bond Donor Count: 20
• Hydrogen Bond Acceptor Count: 33
• Rotatable Bond Count: 19
• Exact Mass: 1290.54 Da
• Monoisotopic Mass: 1290.54 Da
• Topological Polar Surface Area: 532.000 Ų
• Heavy Atom Count: 89
• Formal Charge: 0
• Complexity: 2400.000
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 36
• 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