Steviolbioside - ≥98% , CAS No.41093-60-1

CAS: 41093-60-1 Cat. No.: S357680 Formula: C₃₂H₅₀O₁₃ Molecular Weight: 642.73 EC Number: 817-155-2 PubChem CID: 16401639

GRADE & PURITY ≥98%

Synonyms

AKOS037514896 | 13-O-beta-sophorosyl-steviol | CCG-270321 | Calogen | STEVIOLBIOSIDE (USP-RS) | CCRIS 6025 | HY-N2547 | AKOS015920279 | CCRIS-6025 | Steviolbioside | (5beta,8alpha,9beta,10alpha,13alpha)-13-((2-O-(beta-D-Glucopyranosyl)-beta-D-glucopyranos

Storage

Protected from light,Store at -20°C

Shipped In

Ice chest + Ice pads

Overview

description：

Steviolbioside (CCRIS-6025), a natural sweetener, exhibits moderate antituberculosis activity against M. tuberculosis strain H37RV in vitro.

biological activity：

Steviolbioside is a rare sweetener that exists in stevia rebaudiana leaves. Steviolbioside presents inhibition on several human cancer cells and acts as potential remedy for human breast cancer。

Specifications

Synonyms

AKOS037514896 | 13-O-beta-sophorosyl-steviol | CCG-270321 | Calogen | STEVIOLBIOSIDE (USP-RS) | CCRIS 6025 | HY-N2547 | AKOS015920279 | CCRIS-6025 | Steviolbioside | (5beta,8alpha,9beta,10alpha,13alpha)-13-((2-O-(beta-D-Glucopyranosyl)-beta-D-glucopyranos

Specifications & Purity

≥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.

Purity

≥98%

Names and Identifiers

Pubchem Sid

504768449

Pubchem Sid Url

https://pubchem.ncbi.nlm.nih.gov/substance/504768449

Canonical Smiles

CC12CCCC(C1CCC34C2CCC(C3)(C(=C)C4)OC5C(C(C(C(O5)CO)O)O)OC6C(C(C(C(O6)CO)O)O)O)(C)C(=O)O

IUPAC Name

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

InChIKey

OMHUCGDTACNQEX-OSHKXICASA-N

INCHI

1S/C32H50O13/c1-15-11-31-9-5-18-29(2,7-4-8-30(18,3)28(40)41)19(31)6-10-32(15,14-31)45-27-25(23(38)21(36)17(13-34)43-27)44-26-24(39)22(37)20(35)16(12-33)42-26/h16-27,33-39H,1,4-14H2,2-3H3,(H,40,41)/t16-,17-,18+,19+,20-,21-,22+,23+,24-,25-,26+,27+,29-,30-,31-,32+/m1/s1

Isomeric 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)O[C@H]6[C@@H]([C@H]([C@@H]([C@H](O6)CO)O)O)O)(C)C(=O)O

PubChem CID

16401639

Molecular Weight

642.73

Taxonomic Classification

Taxonomy Tree

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

• Kingdom: Organic compounds
• Superclass: Lipids and lipid-like molecules
• Class: Prenol lipids
• Subclass: Terpene glycosides
• Intermediate Tree Nodes: Diterpene glycosides
• Direct Parent: Steviol glycosides
• Alternative Parents: Kaurane diterpenoids Fatty acyl glycosides of mono- and disaccharides O-glycosyl compounds Disaccharides Oxanes Secondary alcohols Polyols Oxacyclic compounds Monocarboxylic acids and derivatives Carboxylic acids Acetals Primary alcohols Organic oxides Hydrocarbon derivatives Carbonyl compounds
• Molecular Framework: Aliphatic heteropolycyclic compounds
• Substituents: Steviol glycoside - Diterpenoid - Kaurane diterpenoid - Fatty acyl glycoside - Fatty acyl glycoside of mono- or disaccharide - Disaccharide - Glycosyl compound - O-glycosyl compound - Oxane - Fatty acyl - Secondary alcohol - Organoheterocyclic compound - Polyol - Oxacycle - Monocarboxylic acid or derivatives - Carboxylic acid derivative - Carboxylic acid - Acetal - Primary alcohol - Organic oxygen compound - Organic oxide - Hydrocarbon derivative - Alcohol - Carbonyl group - Organooxygen compound - Aliphatic heteropolycyclic compound
• Description: 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

Chemical and Physical Properties

• Sensitivity: Light sensitive
• Molecular Weight: 642.700 g/mol
• XLogP3: 0.600
• Hydrogen Bond Donor Count: 8
• Hydrogen Bond Acceptor Count: 13
• Rotatable Bond Count: 7
• Exact Mass: 642.325 Da
• Monoisotopic Mass: 642.325 Da
• Topological Polar Surface Area: 216.000 Ų
• Heavy Atom Count: 45
• Formal Charge: 0
• Complexity: 1150.000
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 16
• 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