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Ampelopsisionoside

CAT: 0931-T125952-02Size: 5 mgDry Ice: NoHazardous: No
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CAT#:0931-T125952-02Size:5 mg
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CAS Number
138665-44-8
Target
Others
Related Pathways
Others
Bioactivity
Ampelopsisionoside is a useful organic compound for research related to life sciences. The catalog number is T125952 and the CAS number is 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
Shipping Conditions
Ice Packs
Storage Temperature
-20°C

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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