Structure via PubChem · Public domain (PubChem)
Chemical data
- Formula
- C56H44O13
- Molecular weight
- 924.9 g/mol
- IUPAC name
- 5-[(2S,3R,4S,5S)-4-[(2S,3S)-3-[(2R,3R)-3-(3,5-dihydroxyphenyl)-6-hydroxy-2-(4-hydroxyphenyl)-2,3-dihydro-1-benzofuran-4-yl]-6-hydroxy-2-(4-hydroxyphenyl)-2,3-dihydro-1-benzofuran-4-yl]-2,5-bis(4-hydroxyphenyl)oxolan-3-yl]benzene-1,3-diol
- SMILES
- C1=CC(=CC=C1[C@@H]2[C@H]([C@H]([C@H](O2)C3=CC=C(C=C3)O)C4=C5[C@@H]([C@H](OC5=CC(=C4)O)C6=CC=C(C=C6)O)C7=C8[C@H]([C@@H](OC8=CC(=C7)O)C9=CC=C(C=C9)O)C1=CC(=CC(=C1)O)O)C1=CC(=CC(=C1)O)O)O
- InChIKey
- RAUCCLKIJHMTND-LUPMIFTGSA-N
- XLogP
- 8.8
- Polar surface area
- 230 Ų
- H-bond donors
- 10
- H-bond acceptors
- 13
- Formal charge
- 0
via PubChem
Wikidata facts
- Mass
- 924.278191
Show 6 more facts
- found in taxon
- Carex folliculata
- chemical formula
- C₅₆H₄₄O₁₃
- canonical SMILES
- C1=CC(=CC=C1C2C(C(C(O2)C3=CC=C(C=C3)O)C4=CC(=CC5=C4C(C(O5)C6=CC=C(C=C6)O)C7=CC(=CC8=C7C(C(O8)C9=CC=C(C=C9)O)C1=CC(=CC(=C1)O)O)O)O)C1=CC(=CC(=C1)O)O)O
- isomeric SMILES
- C1=CC(=CC=C1[C@@H]2[C@H]([C@H]([C@H](O2)C3=CC=C(C=C3)O)C4=CC(=CC5=C4[C@@H]([C@H](O5)C6=CC=C(C=C6)O)C7=CC(=CC8=C7[C@H]([C@@H](O8)C9=CC=C(C=C9)O)C1=CC(=CC(=C1)O)O)O)O)C1=CC(=CC(=C1)O)O)O
- stereoisomer of
- carasinol B
- Commons category
- Kobophenol A
Sources (2)
via Wikidata · CC0