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Chemical structure of Rebaudioside I

GC37078

Rebaudioside I

Also known as [(2S,3R,4S,5R,6R)-3,5-dihydroxy-6-(hydroxymethyl)-4-[(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,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

Rebaudioside I is a natural non-claoric sweetener isolated from S

ChemicalCAS1220616-34-1MW1129.15FormulaC50H80O28
CAS number
1220616-34-1
Molecular weight
1129.15
Formula
C50H80O28
Solubility
Soluble in DMSO
InChIKey
BSVKOVOOJNJHBR-PBQKZBBNSA-N
Catalogue number
GC37078
Brand
GLPBIO
Computed properties PubChem CID 92023627 · XLogP -4.4 · TPSA 453 Ų · H-bond donors 17
XLogP
-4.4
TPSA
453 Ų
H-bond donors
17
H-bond acceptors
28
Rotatable bonds
16
Heavy atoms
78

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

Computed descriptors from PubChem (CID 92023627), public domain. Identity cross-checked against the supplier's molecular formula and weight — verify before use.

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