Structure via PubChem · Public domain (PubChem)
Chemical data
- Formula
- C45H36O15
- Molecular weight
- 816.8 g/mol
- IUPAC name
- (1S,5R,6R,7S,13R)-5,13-bis(4-hydroxyphenyl)-7-[(2R,3S)-3,5,7-trihydroxy-2-(4-hydroxyphenyl)-3,4-dihydro-2H-chromen-8-yl]-4,12,14-trioxapentacyclo[11.7.1.02,11.03,8.015,20]henicosa-2(11),3(8),9,15,17,19-hexaene-6,9,17,19,21-pentol
- SMILES
- C1[C@@H]([C@H](OC2=C1C(=CC(=C2[C@@H]3[C@H]([C@H](OC4=C3C(=CC5=C4[C@H]6C([C@@](O5)(OC7=CC(=CC(=C67)O)O)C8=CC=C(C=C8)O)O)O)C9=CC=C(C=C9)O)O)O)O)C1=CC=C(C=C1)O)O
- InChIKey
- PMDYNLFGCCRGRX-NSJNBNEDSA-N
- XLogP
- 4.4
- Polar surface area
- 259 Ų
- H-bond donors
- 11
- H-bond acceptors
- 15
- Formal charge
- 0
via PubChem
Wikidata facts
- Mass
- 816.20542
Show 5 more facts
- canonical SMILES
- C1C(C(OC2=C1C(=CC(=C2C3C(C(OC4=C5C6C(C(OC7=CC(=CC(=C67)O)O)(OC5=CC(=C34)O)C8=CC=C(C=C8)O)O)C9=CC=C(C=C9)O)O)O)O)C1=CC=C(C=C1)O)O
- chemical formula
- C₄₅H₃₆O₁₅
- isomeric SMILES
- C1[C@@H]([C@H](OC2=C1C(=CC(=C2[C@@H]3[C@H]([C@H](OC4=C5[C@H]6C([C@](OC7=CC(=CC(=C67)O)O)(OC5=CC(=C34)O)C8=CC=C(C=C8)O)O)C9=CC=C(C=C9)O)O)O)O)C1=CC=C(C=C1)O)O
- Commons category
- Selligueain A
- found in taxon
- Selliguea feei
Sources (1)
via Wikidata · CC0