Rebaudioside E

莱苞迪苷E

PHY-NP-02818 · Natural product research catalog

Catalog number	PHY-NP-02818
CAS number	63279-14-1
Molecular formula	C₄₄H₇₀O₂₃
Molecular weight	967.021 g/mol
Chemical class	Diterpenoids
Purity / assay	Confirmed in quotation and batch COA

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Product information

Rebaudioside E is listed in the Diterpenoids section of the Phytide Bio research catalog. Standard pack sizes are 5, 10, 20, 50 and 100 mg.

For research use only. Not for human or veterinary use, diagnosis or treatment.

Names & identifiers

IUPAC name	[(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] (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-carboxylate
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[C@H]7[C@@H]([C@H]([C@@H]([C@H](O7)CO)O)O)O[C@H]8[C@@H]([C@H]([C@@H]([C@H](O8)CO)O)O)O
InChIKey	RLLCWNUIHGPAJY-SFUUMPFESA-N
Subclass / scaffold	Kaurane and Phyllocladane diterpenoids Tetracyclic diterpenoids
PubChem CID	72710721

Computed properties & structure classification

Exact mass (Da)	966.4308	Predicted LogP	-5.1139
Predicted TPSA (Å²)	374.13	H-bond donors	14
H-bond acceptors	23	Rotatable bonds	12
Ring count	8	Aromatic rings	0
Fraction Csp³	0.932	Synthetic accessibility score	7.6
QED score	0.049	Lipinski rule violations	3
NPClassifier pathway	Terpenoids	NPClassifier superclass	Diterpenoids
NPClassifier class	Kaurane and Phyllocladane diterpenoids；Tetracyclic diterpenoids	Parent SMILES	C=C1C[C@@]23CC[C@H]4[C@@](C)(CCC[C@@]4(C)C(=O)O[C@@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@H]4O[C@@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@H]4O)[C@@H]2CC[C@]1(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)C3
Parent formula	C₄₄H₇₀O₂₃	Parent molecular weight	967.021
Specified stereocenters	26	Unspecified stereocenters	0

Structure-derived values from the supplied dataset; not measured batch specifications or experimentally verified activity.

Reported natural occurrence

Main reported source	candyleaf
LOTUS / Wikidata species	candyleaf(甜叶菊)[3]
Source families	Asteraceae[1]
LOTUS species records	1
LOTUS reference records	3
COCONUT occurrence records	Stevia sp.；candyleaf
COCONUT organism records	2
COCONUT identifier	CNP0220427.4

Occurrence records are inherited from the supplied dataset. They do not establish manufacturing origin, batch traceability or independent literature verification. Taxonomic names may include synonyms.

Structure resources

Download structure · SDF ↓Download structure image ↓View PubChem record ↗

Structure files describe the catalog record. They are not COA, SDS or evidence of batch quality.

Documents & specifications

Certificate of analysis (COA)	Batch-specific document pending; not available in this preview
Safety data sheet (SDS)	Not yet published
Storage / solubility	Product-specific conditions to be confirmed
Shipping	Confirmed with the quotation

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