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Gnetin D

CAT: 0013-GTR19184082-02Size: 1 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19184082-02Size:1 mg
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Description
Gnetin D
CAS Number
84870-53-1
Smiles
Oc1ccc (\C=C\c2cc3O[C@@H] ([C@H] (c3c (O) c2) c2cc (O) cc (O) c2) c2ccc (O) cc2O) cc1
Molecular Formula
C28H22O7
Molecular Weight
470.477
Storage Conditions
-20°C
Notes
For research use only.

Chemical Information

Gnetin D

Gnetin D has been reported in Gnetum gnemonoides, Gnetum latifolium, and other organisms with data available.

CAS Number84870-53-1
PubChem CID102004736
IUPAC Name4-[(2S,3S)-3-(3,5-dihydroxyphenyl)-6-hydroxy-4-[(E)-2-(4-hydroxyphenyl)ethenyl]-2,3-dihydro-1-benzofuran-2-yl]benzene-1,3-diol
Molecular FormulaC28H22O7
Molecular Weight470.5
XLogP5
Topological Polar Surface Area131
Hydrogen Bond Donor Count6
Hydrogen Bond Acceptor Count7
Rotatable Bond Count4
Heavy Atom Count35
Formal Charge0
Complexity712
SMILES
C1=CC(=CC=C1/C=C/C2=C3[C@@H]([C@H](OC3=CC(=C2)O)C4=C(C=C(C=C4)O)O)C5=CC(=CC(=C5)O)O)O
InChI
InChI=1S/C28H22O7/c29-18-5-2-15(3-6-18)1-4-16-9-22(33)14-25-26(16)27(17-10-20(31)12-21(32)11-17)28(35-25)23-8-7-19(30)13-24(23)34/h1-14,27-34H/b4-1+/t27-,28+/m0/s1
InChIKey
KYXFGKLZVUDIIX-BQYFGGCBSA-N
Chemical Structure
2D Structure
2D structure of Gnetin D
CAS: 84870-53-1
CID: 102004736
Formula: C28H22O7
MW: 470.5
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight470.5
XLogP35
Hydrogen Bond Donor Count6
Hydrogen Bond Acceptor Count7
Rotatable Bond Count4
Exact Mass470.13655304
Monoisotopic Mass470.13655304
Topological Polar Surface Area131 Ų
Heavy Atom Count35
Formal Charge0
Complexity712
Isotope Atom Count0
Defined Atom Stereocenter Count2
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count1
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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