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Chemical structure of Rebaudioside M

GC37080

Rebaudioside M

Also known as [(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] (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 M, a glycoside of the ent-kaurene diterpenoid aglycone, is a natural non-calorie sweetener isolated from Stevia rebaudiana Bertoni

ChemicalCAS1220616-44-3MW1291.29FormulaC56H90O33
CAS number
1220616-44-3
Molecular weight
1291.29
Formula
C56H90O33
Solubility
DMSO ： 100 mg/mL (77·44 mM; Need ultrasonic)
InChIKey
GSGVXNMGMKBGQU-PHESRWQRSA-N
Catalogue number
GC37080
Brand
GLPBIO
Computed properties PubChem CID 92023628 · XLogP -6 · TPSA 532 Ų · H-bond donors 20
XLogP
-6
TPSA
532 Ų
H-bond donors
20
H-bond acceptors
33
Rotatable bonds
19
Heavy atoms
89

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[C@H]1[C@@H]([C@H]([C@@H]([C@H](O1)CO)O)O)O

Computed descriptors from PubChem (CID 92023628), public domain. Identity cross-checked against the supplier's molecular formula and weight — verify before use.

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