Rebaudioside B - 10mM in DMSO , CAS No.58543-17-2

CAS: 58543-17-2 Cat. No.: R424894 분자식: C₃₈H₆₀O₁₈ 분자량: 804.87 EC 번호: 817-151-0 PubChem CID: 21593623

등급 & 순도 10mM in DMSO

Synonyms

s3257 | U2N4XKX7HP | R0248 | REBAUDIOSIDE B [MI] | REBB | Rebaudioside B | SCHEMBL19770001 | REBAUDIOSIDE B(P)(NEW) | DTXSID70974103 | MFCD32854014 | Stevioside A4 | UNII-U2N4XKX7HP | CCRIS 6118 | KAUR-16-EN-18-OIC ACID, 13-((O-.BETA.-D-GLUCOPYRANOSYL-(1-

Storage

Store at -80°C

Shipped In

Dry ice packs + Cold packs

사양

동의어

s3257 | U2N4XKX7HP | R0248 | REBAUDIOSIDE B [MI] | REBB | Rebaudioside B | SCHEMBL19770001 | REBAUDIOSIDE B(P)(NEW) | DTXSID70974103 | MFCD32854014 | Stevioside A4 | UNII-U2N4XKX7HP | CCRIS 6118 | KAUR-16-EN-18-OIC ACID, 13-((O-.BETA.-D-GLUCOPYRANOSYL-(1-

사양 및 순도

10mM in DMSO

보관 조건

Store at -80°C

배송

Dry ice packs + Cold packs

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이름과 식별자

Pubchem Sid

528775509

정식 스마일

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)O

IUPAC Name

(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-carboxylic acid

InChIKey

DRSKVOAJKLUMCL-MMUIXFKXSA-N

INCHI

1S/C38H60O18/c1-16-11-37-9-5-20-35(2,7-4-8-36(20,3)34(49)50)21(37)6-10-38(16,15-37)56-33-30(55-32-28(48)26(46)23(43)18(13-40)52-32)29(24(44)19(14-41)53-33)54-31-27(47)25(45)22(42)17(12-39)51-31/h17-33,39-48H,1,4-15H2,2-3H3,(H,49,50)/t17-,18-,19-,20+,21+,22-,23-,24-,25+,26+,27-,28-,29+,30-,31+,32+,33+,35-,36-,37-,38+/m1/s1

이성체 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

PubChem CID

21593623

분자량

804.87

Taxonomic Classification

Taxonomy Tree

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

• Kingdom: Organic compounds
• Superclass: Lipids and lipid-like molecules
• 분류: 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 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 - Oligosaccharide - Diterpenoid - Kaurane diterpenoid - Fatty acyl glycoside - Glycosyl compound - O-glycosyl compound - Fatty acyl - Oxane - Secondary alcohol - Oxacycle - Carboxylic acid derivative - Carboxylic acid - Acetal - Organoheterocyclic compound - Monocarboxylic acid or derivatives - Polyol - Hydrocarbon derivative - Alcohol - Organic oxide - Organic oxygen compound - Organooxygen compound - Primary alcohol - Carbonyl group - Aliphatic heteropolycyclic compound
• 설명: 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

화학 및 물리적 특성

• 감도: Heat & Moisture Sensitive
• 녹는점(°C): >190°C (dec.)
• 분자량: 804.900 g/mol
• XLogP3: -1.000
• Hydrogen Bond Donor Count: 11
• Hydrogen Bond Acceptor Count: 18
• Rotatable Bond Count: 10
• Exact Mass: 804.378 Da
• Monoisotopic Mass: 804.378 Da
• Topological Polar Surface Area: 295.000 Ų
• Heavy Atom Count: 56
• Formal Charge: 0
• Complexity: 1450.000
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 21
• 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