rebaudioside E (CHEBI:145018)

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CHEBI:145018 - rebaudioside E

ChEBI ID	CHEBI:145018
ChEBI Name	rebaudioside E
Stars
Definition	A rebaudioside that is stevioside in which the hydroxy group at position 2 of the glucosyl ester moiety has been converted into the corresponding β-D-glucoside.
Last Modified	6 March 2024
Submitter	Kristian Axelsen
Downloads	Molfile

Formula	C44H70O23
Net Charge	0
Average Mass	967.021
Monoisotopic Mass	966.43079
SMILES	[H][C@]12CC[C@]34CC(=C)[C@](O[C@@H]5O[C@H](CO)[C@@H](O)[C@H](O)[C@H]5O[C@@H]5O[C@H](CO)[C@@H](O)[C@H](O)[C@H]5O)(CC[C@@]3([H])[C@]1(C)CCC[C@@]2(C)C(=O)O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O)C4
InChI	InChI=1S/C44H70O23/c1-17-11-43-9-5-22-41(2,7-4-8-42(22,3)40(59)66-38-34(30(55)26(51)20(14-47)62-38)64-36-32(57)28(53)24(49)18(12-45)60-36)23(43)6-10-44(17,16-43)67-39-35(31(56)27(52)21(15-48)63-39)65-37-33(58)29(54)25(50)19(13-46)61-37/h18-39,45-58H,1,4-16H2,2-3H3/t18-,19-,20-,21-,22+,23+,24-,25-,26-,27-,28+,29+,30+,31+,32-,33-,34-,35-,36+,37+,38+,39+,41-,42-,43-,44+/m1/s1
InChIKey	RLLCWNUIHGPAJY-SFUUMPFESA-N

Roles Classification

Biological Roles:	plant metabolite Any eukaryotic metabolite produced during a metabolic reaction in plants, the kingdom that include flowering plants, conifers and other gymnosperms. sweetening agent Substance that sweeten food, beverages, medications, etc. sweetening agent Substance that sweeten food, beverages, medications, etc.
Applications:	sweetening agent Substance that sweeten food, beverages, medications, etc. sweetening agent Substance that sweeten food, beverages, medications, etc.

ChEBI Ontology

Outgoing Relation(s)
	rebaudioside E (CHEBI:145018) has functional parent stevioside (CHEBI:9271)
	rebaudioside E (CHEBI:145018) is a rebaudioside (CHEBI:145023)
	rebaudioside E (CHEBI:145018) is a sophoroside (CHEBI:145470)
Incoming Relation(s)
	rebaudioside D (CHEBI:145022) has functional parent rebaudioside E (CHEBI:145018)

IUPAC Name
2-O-β-D-glucopyranosyl-1-O-({(4R,4aS,6aR,9S,11aR,11bS)-9-[(2-O-β-D-glucopyranosyl-β-D-glucopyranosyl)oxy]-4,11b-dimethyl-8-methylenetetradecahydro-6a,9-methanocyclohepta[a]naphthalen-4-yl}carbonyl)-β-D-glucopyranose

Synonyms	Source
(2S,3R,4S,5S,6R)-4,5-dihydroxy-6-(hydroxymethyl)-3-{[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydro-2H-pyran-2-yl]oxy}tetrahydro-2H-pyran-2-yl (4R,4aS,6aR,9S,11aR,11bS)-9-{[(2S,3R,4S,5S,6R)-4,5-dihydroxy-6-(hydroxymethyl)-3-{[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydro-2H-pyran-2-yl]oxy}tetrahydro-2H-pyran-2-yl]oxy}-4,11b-dimethyl-8-methylenetetradecahydro-6a,9-methanocyclohepta[a]naphthalene-4-carboxylate	IUPAC
(−)-rebaudioside E	ChemIDplus

Synonyms

Source

(2S,3R,4S,5S,6R)-4,5-dihydroxy-6-(hydroxymethyl)-3-{[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydro-2H-pyran-2-yl]oxy}tetrahydro-2H-pyran-2-yl (4R,4aS,6aR,9S,11aR,11bS)-9-{[(2S,3R,4S,5S,6R)-4,5-dihydroxy-6-(hydroxymethyl)-3-{[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydro-2H-pyran-2-yl]oxy}tetrahydro-2H-pyran-2-yl]oxy}-4,11b-dimethyl-8-methylenetetradecahydro-6a,9-methanocyclohepta[a]naphthalene-4-carboxylate

IUPAC

(−)-rebaudioside E

ChemIDplus

UniProt Name	Source
rebaudioside E	UniProt

Manual Xrefs	Databases
WO02060419	Patent
EP1361870	Patent

Registry Numbers	Sources
CAS:63279-14-1	ChemIDplus

Citations