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Chemical structure of Steviolbioside

GC39136

Steviolbioside

Also known as (1S,4R,5R,9R,10S,13R)-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-carboxylic acid

Steviolbioside is a rare sweetener that exists in stevia rebaudiana leaves· Steviolbioside presents inhibition on several human cancer cells and acts as potential remedy for human breast cancer

ChemicalCAS41093-60-1MW642.73FormulaC32H50O13
CAS number
41093-60-1
Molecular weight
642.73
Formula
C32H50O13
Solubility
DMSO： 250 mg/mL (388·97 mM)
InChIKey
OMHUCGDTACNQEX-VKXXIMTPSA-N
Catalogue number
GC39136
Brand
GLPBIO
Computed properties PubChem CID 162031 · XLogP 0.6 · TPSA 216 Ų · H-bond donors 8
XLogP
0.6
TPSA
216 Ų
H-bond donors
8
H-bond acceptors
13
Rotatable bonds
7
Heavy atoms
45

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

Computed descriptors from PubChem (CID 162031), public domain. Identity cross-checked against the supplier's molecular formula and weight — verify before use.

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