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Phillygenol

CAT: 1299-RG-P080901-02Size: 25 mgDry Ice: NoHazardous: No
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CAT#:1299-RG-P080901-02Size:25 mg
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CAS Number
487-39-8
Synonyms
4- ((1S,3aR,4R,6aR) -4- (3,4-dimethoxyphenyl) hexahydrofuro[3,4-c]furan-1-yl) -2-methoxyphenol
Molecular Formula
C21H24O6
Molecular Weight
372.41
Product Name Synonym
4- ((1S,3aR,4R,6aR) -4- (3,4-dimethoxyphenyl) hexahydrofuro[3,4-c]furan-1-yl) -2-methoxyphenol

Chemical Information

Sylvatesmin

sylvatesmin has been reported in Lindera praecox, Forsythia koreana, and other organisms with data available.

CAS Number487-39-8
PubChem CID3083590
IUPAC Name4-[(3S,3aR,6R,6aR)-6-(3,4-dimethoxyphenyl)-1,3,3a,4,6,6a-hexahydrofuro[3,4-c]furan-3-yl]-2-methoxyphenol
Molecular FormulaC21H24O6
Molecular Weight372.4
XLogP2.6
Topological Polar Surface Area66.4
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count6
Rotatable Bond Count5
Heavy Atom Count27
Formal Charge0
Complexity487
SMILES
COC1=C(C=C(C=C1)[C@H]2[C@H]3CO[C@@H]([C@H]3CO2)C4=CC(=C(C=C4)O)OC)OC
InChI
InChI=1S/C21H24O6/c1-23-17-7-5-13(9-19(17)25-3)21-15-11-26-20(14(15)10-27-21)12-4-6-16(22)18(8-12)24-2/h4-9,14-15,20-22H,10-11H2,1-3H3/t14-,15-,20+,21-/m0/s1
InChIKey
CPJKKWDCUOOTEW-YJPXFSGGSA-N
Chemical Structure
2D Structure
2D structure of Sylvatesmin
CAS: 487-39-8
CID: 3083590
Formula: C21H24O6
MW: 372.4
Interactive 3D Structure
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View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight372.4
XLogP32.6
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count6
Rotatable Bond Count5
Exact Mass372.15728848
Monoisotopic Mass372.15728848
Topological Polar Surface Area66.4 Ų
Heavy Atom Count27
Formal Charge0
Complexity487
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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