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Yangambin

CAT: 0013-GTR19260711-02Size: 20 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19260711-02Size:20 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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Description
Yangambin
CAS Number
13060-14-5
Purity
98.0% (HPLC)
Notes
For research use only.

Chemical Information

(+)-Yangambin

Yangambin is a lignan.

CAS Number13060-14-5
PubChem CID443028
IUPAC Name(3S,3aR,6S,6aR)-3,6-bis(3,4,5-trimethoxyphenyl)-1,3,3a,4,6,6a-hexahydrofuro[3,4-c]furan
Molecular FormulaC24H30O8
Molecular Weight446.5
XLogP2.9
Topological Polar Surface Area73.8
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count8
Rotatable Bond Count8
Heavy Atom Count32
Formal Charge0
Complexity512
SMILES
COC1=CC(=CC(=C1OC)OC)[C@@H]2[C@H]3CO[C@@H]([C@H]3CO2)C4=CC(=C(C(=C4)OC)OC)OC
InChI
InChI=1S/C24H30O8/c1-25-17-7-13(8-18(26-2)23(17)29-5)21-15-11-32-22(16(15)12-31-21)14-9-19(27-3)24(30-6)20(10-14)28-4/h7-10,15-16,21-22H,11-12H2,1-6H3/t15-,16-,21+,22+/m0/s1
InChIKey
HRLFUIXSXUASEX-RZTYQLBFSA-N
Chemical Structure
2D Structure
2D structure of (+)-Yangambin
CAS: 13060-14-5
CID: 443028
Formula: C24H30O8
MW: 446.5
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight446.5
XLogP32.9
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count8
Rotatable Bond Count8
Exact Mass446.19406791
Monoisotopic Mass446.19406791
Topological Polar Surface Area73.8 Ų
Heavy Atom Count32
Formal Charge0
Complexity512
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
HY-N4267-01Yangambin

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