(1R,2S,3R)-2-(3,5-dihydroxyphenyl)-1-[(R)-hydroxy-(4-hydroxyphenyl)methyl]-3-(4-hydroxyphenyl)-2,3-dihydro-1H-indene-4,6-diol
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Basic information
- CAS
164204-62-0- Standard SMILES
Oc1ccc([C@@H]2c3c(O)cc(O)cc3[C@H]([C@@H](O)c3ccc(O)cc3)[C@H]2c2cc(O)cc(O)c2)cc1- InChIKey
PRITZUOAMIVROM-XEZODYMFSA-N- Molecular formula
- C28H24O7
- Average molar mass
- 472.5 g/mol
- Monoisotopic mass
- 472.1522031
Overview
(1R,2S,3R)-2-(3,5-dihydroxyphenyl)-1-[(R)-hydroxy-(4-hydroxyphenyl)methyl]-3-(4-hydroxyphenyl)-2,3-dihydro-1H-indene-4,6-diol has been reported in Sophora alopecuroides with data available.
Names & identifiers
- Preferred name
- (1R,2S,3R)-2-(3,5-dihydroxyphenyl)-1-[(R)-hydroxy-(4-hydroxyphenyl)methyl]-3-(4-hydroxyphenyl)-2,3-dihydro-1H-indene-4,6-diol
- IUPAC
- (1R,2S,3R)-2-(3,5-dihydroxyphenyl)-1-[(R)-hydroxy-(4-hydroxyphenyl)methyl]-3-(4-hydroxyphenyl)-2,3-dihydro-1H-indene-4,6-diol
- English name
- Leachianol G
- Molecular formula
- C28H24O7
- Molecular weight
- 472.49
Names & synonyms
orb1680272SCHEMBL30208592TN6477AKOS040763497Leachianol G1H-Indene-4,6-diol, 2-(3,5-dihydroxyphenyl)-2,3-dihydro-1-[(R)-hydroxy(4-hydroxyphenyl)methyl]-3-(4-hydroxyphenyl)-, (1R,2S,3R)-
Database identifiers
- CAS
164204-62-0- PubChem CID
- 60151313
- Nikkaji
- J641.659D
Properties
Computed structural propertiesFilling in
- XLogP
- 3.9
- Topological polar surface area
- 142 Ų
- Hydrogen bond donors
- 7
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 4
- Heavy atoms
- 35
- Formal charge
- 0
- Complexity
- 679
Physicochemical properties
- Boiling point
- 756.5 · 756.5±60.0 °C(Predicted)
- Density
- 1.504 · 1.504±0.06 g/cm3(Predicted)
- pka
- 9.39 · 9.39±0.10(Predicted)
Chemistry & industry
Applications
UsesLeachianol G is a natural product[1].
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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