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(+) -Epipinoresinol

CAT: 0931-TN1612Size: 5 mgDry Ice: NoHazardous: No
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CAT#:0931-TN1612Size:5 mg
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CAS Number
24404-50-0
Target
Others
Related Pathways
Others
Bioactivity
(+) -Epipinoresinol is a natural product
Smiles
O(C)C=1C=C([C@]2([C@@]3([C@@]([C@](OC3)(C4=CC(OC)=C(O)C=C4)[H])(CO2)[H])[H])[H])C=CC1O
Molecular Formula
C20H22O6
Molecular Weight
358.39
Shipping Conditions
Ice Packs
Storage Temperature
-20°C

Chemical Information

Epipinoresinol

Epipinoresinol is an enantiomer of pinoresinol having (+)-(1R,3aR,4S,6aR)-configuration. It has a role as a marine metabolite and a plant metabolite.

CAS Number24404-50-0
PubChem CID637584
IUPAC Name4-[(3R,3aR,6S,6aR)-6-(4-hydroxy-3-methoxyphenyl)-1,3,3a,4,6,6a-hexahydrofuro[3,4-c]furan-3-yl]-2-methoxyphenol
Molecular FormulaC20H22O6
Molecular Weight358.4
XLogP2.3
Topological Polar Surface Area77.4
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count6
Rotatable Bond Count4
Heavy Atom Count26
Formal Charge0
Complexity431
SMILES
COC1=C(C=CC(=C1)[C@H]2[C@H]3CO[C@@H]([C@H]3CO2)C4=CC(=C(C=C4)O)OC)O
InChI
InChI=1S/C20H22O6/c1-23-17-7-11(3-5-15(17)21)19-13-9-26-20(14(13)10-25-19)12-4-6-16(22)18(8-12)24-2/h3-8,13-14,19-22H,9-10H2,1-2H3/t13-,14-,19-,20+/m0/s1
InChIKey
HGXBRUKMWQGOIE-WZBLMQSHSA-N
Chemical Structure
2D Structure
2D structure of Epipinoresinol
CAS: 24404-50-0
CID: 637584
Formula: C20H22O6
MW: 358.4
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight358.4
XLogP32.3
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count6
Rotatable Bond Count4
Exact Mass358.14163842
Monoisotopic Mass358.14163842
Topological Polar Surface Area77.4 Ų
Heavy Atom Count26
Formal Charge0
Complexity431
Isotope Atom Count0
Defined Atom Stereocenter Count4
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

Alternative Products

CatalogName
KAA06138-01(-) -Epipinoresinol
MBS5760344(-)-Epipinoresinol
MBS5760343(+)-Epipinoresinol
M31244-01(+) -Epipinoresinol
TWK01856Epipinoresinol
TBW00955Epipinoresinol-β-D-glucoside
AB3133Epipinoresinol-4-O-glucopyranoside
HY-N8021Epipinoresinol-4-O-β-glucoside
AB2097Epipinoresinol-4'-O-glucopyranoside
M28678-01Epipinoresinol-4'-O-β-D-glucoside

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