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Epimagnolin B

CAT: 0013-GTR19183708-01Size: 1 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19183708-01Size:1 mg
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Description
Epimagnolin B
CAS Number
1134188-26-3
Field of Research
Immunology & Inflammation, Pharmacology & Drug Discovery, Signal Transduction
Smiles
[H][C@@]12CO[C@H] (c3cc (OC) c (OC) c (OC) c3) [C@]1 ([H]) CO[C@H]2c1cc (OC) cc (OC) c1
Molecular Formula
C23H28O7
Molecular Weight
416.46
Storage Conditions
-20°C
Notes
For research use only.

Chemical Information

epimagnolin B
CAS Number1134188-26-3
PubChem CID25194949
IUPAC Name(3R,3aR,6S,6aR)-3-(3,5-dimethoxyphenyl)-6-(3,4,5-trimethoxyphenyl)-1,3,3a,4,6,6a-hexahydrofuro[3,4-c]furan
Molecular FormulaC23H28O7
Molecular Weight416.5
XLogP2.9
Topological Polar Surface Area64.6
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count7
Rotatable Bond Count7
Heavy Atom Count30
Formal Charge0
Complexity520
SMILES
COC1=CC(=CC(=C1)[C@H]2[C@H]3CO[C@@H]([C@H]3CO2)C4=CC(=C(C(=C4)OC)OC)OC)OC
InChI
InChI=1S/C23H28O7/c1-24-15-6-13(7-16(10-15)25-2)21-17-11-30-22(18(17)12-29-21)14-8-19(26-3)23(28-5)20(9-14)27-4/h6-10,17-18,21-22H,11-12H2,1-5H3/t17-,18-,21-,22+/m0/s1
InChIKey
DTZKTJXOROSTPI-YHDSQAASSA-N
Chemical Structure
2D Structure
2D structure of epimagnolin B
CAS: 1134188-26-3
CID: 25194949
Formula: C23H28O7
MW: 416.5
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight416.5
XLogP32.9
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count7
Rotatable Bond Count7
Exact Mass416.18350323
Monoisotopic Mass416.18350323
Topological Polar Surface Area64.6 Ų
Heavy Atom Count30
Formal Charge0
Complexity520
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

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