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Ampelopsisionoside

CAT: 0013-GTR19228012-02Size: 2 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19228012-02Size:2 mg
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Description
Ampelopsisionoside (CAS 138665-44-8) is a bioactive small molecule used in life science research. It has been studied in vitro for its potential antioxidant and hepatoprotective properties, making it relevant for investigations in biochemistry and cellular models.
CAS Number
138665-44-8
Smiles
C[C@@H] (O[C@@H]1O[C@H] (CO) [C@@H] (O) [C@H] (O) [C@H]1O) \C=C\[C@@]1 (O) [C@H] (C) CC (=O) CC1 (C) C
Molecular Formula
C19H32O8
Molecular Weight
388.457
Storage Conditions
-20°C
Notes
For research use only.

Chemical Information

((R)-3-(1-Hydroxy-2,2,6beta-trimethyl-4-oxocyclohexane-1alpha-yl)-1-methyl-2-propenyl)beta-D-glucopyranoside

[(R)-3-(1-Hydroxy-2,2,6beta-trimethyl-4-oxocyclohexane-1alpha-yl)-1-methyl-2-propenyl]beta-D-glucopyranoside has been reported in Helicia cochinchinensis, Myrsine seguinii, and Laurus with data available.

CAS Number138665-44-8
PubChem CID11269249
IUPAC Namecis-(4S,5R)-4-hydroxy-3,3,5-trimethyl-4-[(E,3R)-3-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxybut-1-enyl]cyclohexan-1-one
Molecular FormulaC19H32O8
Molecular Weight388.5
XLogP-0.7
Topological Polar Surface Area137
Hydrogen Bond Donor Count5
Hydrogen Bond Acceptor Count8
Rotatable Bond Count5
Heavy Atom Count27
Formal Charge0
Complexity562
SMILES
C[C@@H]1CC(=O)CC([C@]1(/C=C/[C@@H](C)O[C@H]2[C@@H]([C@H]([C@@H]([C@H](O2)CO)O)O)O)O)(C)C
InChI
InChI=1S/C19H32O8/c1-10-7-12(21)8-18(3,4)19(10,25)6-5-11(2)26-17-16(24)15(23)14(22)13(9-20)27-17/h5-6,10-11,13-17,20,22-25H,7-9H2,1-4H3/b6-5+/t10-,11-,13-,14-,15+,16-,17-,19-/m1/s1
InChIKey
QFTPTUOKFIIFJH-MODFVPIOSA-N
Chemical Structure
2D Structure
2D structure of ((R)-3-(1-Hydroxy-2,2,6beta-trimethyl-4-oxocyclohexane-1alpha-yl)-1-methyl-2-propenyl)beta-D-glucopyranoside
CAS: 138665-44-8
CID: 11269249
Formula: C19H32O8
MW: 388.5
Interactive 3D Structure
Loading 3D structure...
Computed Properties
PropertyValue
Molecular Weight388.5
XLogP3-0.7
Hydrogen Bond Donor Count5
Hydrogen Bond Acceptor Count8
Rotatable Bond Count5
Exact Mass388.20971797
Monoisotopic Mass388.20971797
Topological Polar Surface Area137 Ų
Heavy Atom Count27
Formal Charge0
Complexity562
Isotope Atom Count0
Defined Atom Stereocenter Count8
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count1
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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