Gnetin H
Basic information
- CAS
105132-92-1- Standard SMILES
Oc1ccc(/C=C/c2c3c(cc4c2[C@H](c2cc(O)cc(O)c2)[C@@H](c2ccc(O)cc2)O4)O[C@H](c2ccc(O)cc2)[C@H]3c2cc(O)cc(O)c2)cc1- InChIKey
PHIHHTIYURVLDB-JPZOQBBBSA-N- Molecular formula
- C42H32O9
- Average molar mass
- 680.7 g/mol
- Monoisotopic mass
- 680.20463259
Overview
gnetin H has been reported in Paeonia lactiflora and Vitis vinifera with data available.
Names & identifiers
- Preferred name
- Gnetin H
- IUPAC
- 5-[(2S,3S,5S,6S)-3-(3,5-dihydroxyphenyl)-2,6-bis(4-hydroxyphenyl)-4-[(E)-2-(4-hydroxyphenyl)ethenyl]-2,3,5,6-tetrahydrofuro[3,2-f][1]benzofuran-5-yl]benzene-1,3-diol
Names & synonyms
Gnetin Htrans-Gnetin H(+)-trans-Gnetin H105132-92-12RXU4J2Z191,3-Benzenediol, 5,5'-((2S,3S,5S,6S)-2,3,5,6-tetrahydro-2,6-bis(4-hydroxyphenyl)-4-((1E)-2-(4-hydroxyphenyl)ethenyl)benzo(1,2-b:5,4-b')difuran-3,5-diyl)bis-DTXSID3013191561,3-Benzenediol, 5,5'-[(2S,3S,5S,6S)-2,3,5,6-tetrahydro-2,6-bis(4-hydroxyphenyl)-4-[(1E)-2-(4-hydroxyphenyl)ethenyl]benzo[1,2-b:5,4-b']difuran-3,5-diyl]bis-5-[(2S,3S,5S,6S)-3-(3,5-dihydroxyphenyl)-2,6-bis(4-hydroxyphenyl)-4-[(E)-2-(4-hydroxyphenyl)ethenyl]-2,3,5,6-tetrahydrofuro[3,2-f][1]benzofuran-5-yl]benzene-1,3-diol5-((2S,3S,5S,6S)-3-(3,5-dihydroxyphenyl)-2,6-bis(4-hydroxyphenyl)-4-((E)-2-(4-hydroxyphenyl)ethenyl)-2,3,5,6-tetrahydrofuro(3,2-f)(1)benzofuran-5-yl)benzene-1,3-diolRefChem:37992DTXCID001748584
Show more names
UNII-2RXU4J2Z19orb1990491CHEMBL5398365SCHEMBL14255845AKOS040736399T126475Q272555155,5'-{(2S,3S,5S,6S)-2,6-Bis(4-hydroxyphenyl)-4-[(E)-2-(4-hydroxyphenyl)ethenyl]-2,3,5,6-tetrahydrobenzo[1,2-b:5,4-b']difuran-3,5-diyl}di(benzene-1,3-diol)
Properties
Computed structural properties
- XLogP
- 7.7
- Topological polar surface area
- 160 Ų
- Hydrogen bond donors
- 7
- Hydrogen bond acceptors
- 9
- Rotatable bonds
- 6
- Heavy atoms
- 51
- Formal charge
- 0
- Complexity
- 1,070
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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