carasinol B

chemical compound

Formula: C56H44O13
Molecular weight: 924.9 g/mol
IUPAC name: 5-[(2S,3R,4S,5R)-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-HFRYPGABSA-N
XLogP: 8.8
Polar surface area: 230 Å²
H-bond donors: 10
H-bond acceptors: 13
Formal charge: 0

via PubChem

Show 4 more facts

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
found in taxon: Caragana sinica

Sources (2)

via Wikidata · CC0