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Chemical structure of Mogroside VI B

GC72037

Mogroside VI B

Also known as (2R,3R,4S,5S,6R)-2-[[(2R,3S,4S,5R,6R)-6-[[(3S,8S,9R,10R,11R,13R,14S,17R)-17-[(2R,5R)-5-[(2S,3R,4S,5S,6R)-3-[(2S,3R,4S,5S,6R)-4,5-dihydroxy-6-(hydroxymethyl)-3-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxy-4,5-dihydroxy-6-[[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]oxan-2-yl]oxy-6-hydroxy-6-methylheptan-2-yl]-11-hydroxy-4,4,9,13,14-pentamethyl-2,3,7,8,10,11,12,15,16,17-decahydro-1H-cyclopenta[a]phenanthren-3-yl]oxy]-3,4,5-trihydroxyoxan-2-yl]methoxy]-6-(hydroxymethyl)oxane-3,4,5-triol

Mogroside VI B, a cucurbitane glucoside, separated from the crude extract of Siraitia grosvenorii

ChemicalCAS2149606-17-5MW1449.58FormulaC66H112O34
CAS number
2149606-17-5
Molecular weight
1449.58
Formula
C66H112O34
Solubility
DMSO ： 50 mg/mL (34·49 mM; Need ultrasonic; Hygroscopic DMSO has a significant impact on the solubility of product, please use newly opened DMSO)
InChIKey
PVDOAQQONXZZBU-ISABJOOBSA-N
Catalogue number
GC72037
Brand
GLPBIO
Computed properties PubChem CID 146673138 · XLogP -5.3 · TPSA 556 Ų · H-bond donors 22
XLogP
-5.3
TPSA
556 Ų
H-bond donors
22
H-bond acceptors
34
Rotatable bonds
23
Heavy atoms
100

SMILES C[C@H](CC[C@H](C(C)(C)O)O[C@H]1[C@@H]([C@H]([C@@H]([C@H](O1)CO[C@H]2[C@@H]([C@H]([C@@H]([C@H](O2)CO)O)O)O)O)O)O[C@H]3[C@@H]([C@H]([C@@H]([C@H](O3)CO)O)O)O[C@H]4[C@@H]([C@H]([C@@H]([C@H](O4)CO)O)O)O)[C@H]5CC[C@@]6([C@@]5(C[C@H]([C@@]7([C@H]6CC=C8[C@H]7CC[C@@H](C8(C)C)O[C@H]9[C@@H]([C@H]([C@@H]([C@H](O9)CO[C@H]1[C@@H]([C@H]([C@@H]([C@H](O1)CO)O)O)O)O)O)O)C)O)C)C

Computed descriptors from PubChem (CID 146673138), public domain. Identity cross-checked against the supplier's molecular formula and weight — verify before use.

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