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(-) -Pinoresinol glucoside

CAT: 0926-RBA60720-01Size: 1 mgDry Ice: NoHazardous: No
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CAT#:0926-RBA60720-01Size:1 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
41607-20-9
MDL Number
MFCD28100584
Smiles
COC1=C (C=CC (=C1) C2C3COC (C3CO2) C4=CC (=C (C=C4) OC5C (C (C (C (O5) CO) O) O) O) OC) O
Molecular Formula
C26H32O11
Molecular Weight
520.5 g/mol
Controlled
No

Chemical Information

(-)-Pinoresinol 4-O-Beta-D-Glucopyranoside

(-)-Pinoresinol glucoside is a glycoside and a lignan.

CAS Number41607-20-9
PubChem CID11168362
IUPAC Name(2S,3R,4S,5S,6R)-2-[4-[(3R,3aS,6R,6aS)-3-(4-hydroxy-3-methoxyphenyl)-1,3,3a,4,6,6a-hexahydrofuro[3,4-c]furan-6-yl]-2-methoxyphenoxy]-6-(hydroxymethyl)oxane-3,4,5-triol
Molecular FormulaC26H32O11
Molecular Weight520.5
XLogP0.5
Topological Polar Surface Area157
Hydrogen Bond Donor Count5
Hydrogen Bond Acceptor Count11
Rotatable Bond Count7
Heavy Atom Count37
Formal Charge0
Complexity741
SMILES
COC1=C(C=CC(=C1)[C@H]2[C@@H]3CO[C@H]([C@@H]3CO2)C4=CC(=C(C=C4)O[C@H]5[C@@H]([C@H]([C@@H]([C@H](O5)CO)O)O)O)OC)O
InChI
InChI=1S/C26H32O11/c1-32-18-7-12(3-5-16(18)28)24-14-10-35-25(15(14)11-34-24)13-4-6-17(19(8-13)33-2)36-26-23(31)22(30)21(29)20(9-27)37-26/h3-8,14-15,20-31H,9-11H2,1-2H3/t14-,15-,20-,21-,22+,23-,24+,25+,26-/m1/s1
InChIKey
QLJNETOQFQXTLI-JKUDBEEXSA-N
Chemical Structure
2D Structure
2D structure of (-)-Pinoresinol 4-O-Beta-D-Glucopyranoside
CAS: 41607-20-9
CID: 11168362
Formula: C26H32O11
MW: 520.5
Interactive 3D Structure
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View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight520.5
XLogP30.5
Hydrogen Bond Donor Count5
Hydrogen Bond Acceptor Count11
Rotatable Bond Count7
Exact Mass520.19446183
Monoisotopic Mass520.19446183
Topological Polar Surface Area157 Ų
Heavy Atom Count37
Formal Charge0
Complexity741
Isotope Atom Count0
Defined Atom Stereocenter Count9
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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Alternative Products

CatalogName
RM-P140900-01(+) -pinoresinol-β-D-glucoside
TN5402(-) -Pinoresinol 4-O-glucoside
MBS5801440(-)-Pinoresinol 4-O-glucoside
GTR19158614-01(+) -pinoresinol-β-D-glucoside; (+) -pinor
300794Pinoresinol 4-O-glucoside
MBS3608998-01(+)-pinoresinol-beta-D-glucoside
MBS5750799(+)-pinoresinol-beta-D-glucoside; (+)-pinor
HY-N7982(+) -Pinoresinol monomethyl ether O-β-D-glucoside
TBW00952Pinoresinol monomethyl ether 4-O-β-D-glucoside
GTR19179414(+) -Pinoresinol monomethyl ether 4-O-β-D-glucoside

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