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Forsythin 5mg

CAT: 0628-A14589-5Size: 5 mgDry Ice: NoHazardous: No
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CAT#:0628-A14589-5Size:5 mg
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CAS Number
487-41-2

Chemical Information

Phillyrin

Forsythin is a glycoside and a lignan.

CAS Number487-41-2
PubChem CID101712
IUPAC Name(2S,3R,4S,5S,6R)-2-[4-[(3R,3aR,6S,6aR)-3-(3,4-dimethoxyphenyl)-1,3,3a,4,6,6a-hexahydrofuro[3,4-c]furan-6-yl]-2-methoxyphenoxy]-6-(hydroxymethyl)oxane-3,4,5-triol
Molecular FormulaC27H34O11
Molecular Weight534.6
XLogP0
Topological Polar Surface Area146
Hydrogen Bond Donor Count4
Hydrogen Bond Acceptor Count11
Rotatable Bond Count8
Heavy Atom Count38
Formal Charge0
Complexity757
SMILES
COC1=C(C=C(C=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)OC
InChI
InChI=1S/C27H34O11/c1-32-17-6-4-13(8-19(17)33-2)25-15-11-36-26(16(15)12-35-25)14-5-7-18(20(9-14)34-3)37-27-24(31)23(30)22(29)21(10-28)38-27/h4-9,15-16,21-31H,10-12H2,1-3H3/t15-,16-,21+,22+,23-,24+,25-,26+,27+/m0/s1
InChIKey
KFFCKOBAHMGTMW-LGQRSHAYSA-N
Chemical Structure
2D Structure
2D structure of Phillyrin
CAS: 487-41-2
CID: 101712
Formula: C27H34O11
MW: 534.6
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight534.6
XLogP30
Hydrogen Bond Donor Count4
Hydrogen Bond Acceptor Count11
Rotatable Bond Count8
Exact Mass534.21011190
Monoisotopic Mass534.21011190
Topological Polar Surface Area146 Ų
Heavy Atom Count38
Formal Charge0
Complexity757
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

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N1927-50Forsythin
CS-E-00757Forsythin (Phillyrin)
300777Phillyrin, Forsythin. Phillyroside

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