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Gnetin-A
SpectraBase Compound ID EavBDHnyrfm
InChI InChI=1S/C28H22O6/c29-19-7-2-15(3-8-19)1-4-17-13-23(33)27-24(16-5-9-20(30)10-6-16)25(26(17)28(27)34)18-11-21(31)14-22(32)12-18/h1-14,24-27,29-32H/b4-1+/t24-,25-,26+,27-/m1/s1
InChIKey SVSWTEAHRCVGAR-XJAAUWFPSA-N
Mol Weight 454.48 g/mol
Molecular Formula C28H22O6
Exact Mass 454.141638 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID LwVjgNBp3SS
Name Gnetin-A
Copyright Copyright © 2020-2025 John Wiley & Sons, Inc. All Rights Reserved.
Formula C28H22O6
InChI InChI=1S/C28H22O6/c29-19-7-2-15(3-8-19)1-4-17-13-23(33)27-24(16-5-9-20(30)10-6-16)25(26(17)28(27)34)18-11-21(31)14-22(32)12-18/h1-14,24-27,29-32H/b4-1+/t24-,25-,26+,27-/m1/s1
InChIKey SVSWTEAHRCVGAR-XJAAUWFPSA-N
Molecular Weight 454.478 g/mol
SMILES Oc1ccc([C@@]2([C@@](c3cc(cc(c3)O)O)([C@]3(C([C@@]2(C(C=C3\C=C\c2ccc(cc2)O)=O)[H])=O)[H])[H])[H])cc1
SPLASH splash10-05mo-9100000000-a4aab12b3d8cdc1e0c17
Source of Spectrum X2-45-760-1
Synonyms (1S,5R,6R,7R)-6-(3,5-dihydroxyphenyl)-7-(4-hydroxyphenyl)-4-[(E)-2-(4-hydroxyphenyl)ethenyl]bicyclo[3.2.1]oct-3-ene-2,8-dione (1S,5R,6R,7R)-6-(3,5-dihydroxyphenyl)-7-(4-hydroxyphenyl)-4-[(E)-2-(4-hydroxyphenyl)vinyl]bicyclo[3.2.1]oct-3-ene-2,8-dione (1S,5R,6R,7R)-6-[3,5-bis(oxidanyl)phenyl]-7-(4-hydroxyphenyl)-4-[(E)-2-(4-hydroxyphenyl)ethenyl]bicyclo[3.2.1]oct-3-ene-2,8-dione
Wiley ID 1601068