Albireodelphin A
[CAS# 190511-77-4]

Identification

• Name: Albireodelphin A
• Synonyms: [(2R,3S,4S,5R,6S)-6-[2-[3,4-Dihydroxy-5-[(2S,3R,4S,5S,6R)-3,4,5-Trihydroxy-6-(Hydroxymethyl)Tetrahydropyran-2-Yl]Oxy-Phenyl]-7-Hydroxy-3-[(2S,3R,4S,5S,6R)-3,4,5-Trihydroxy-6-(Hydroxymethyl)Tetrahydropyran-2-Yl]Oxy-Chromenylium-5-Yl]Oxy-3,4,5-Trihydroxy-Tetrahydropyran-2-Yl]Methyl (E)-3-(3,4-Dihydroxyphenyl)Prop-2-Enoate; (E)-3-(3,4-Dihydroxyphenyl)Prop-2-Enoic Acid [(2R,3S,4S,5R,6S)-6-[[2-[3,4-Dihydroxy-5-[[(2S,3R,4S,5S,6R)-3,4,5-Trihydroxy-6-(Hydroxymethyl)-2-Tetrahydropyranyl]Oxy]Phenyl]-7-Hydroxy-3-[[(2S,3R,4S,5S,6R)-3,4,5-Trihydroxy-6-(Hydroxymethyl)-2-Tetrahydropyranyl]Oxy]-5-Chromenyliumyl]Oxy]-3,4,5-Trihydroxy-2-Tetrahydropyranyl]Methyl Ester; (E)-3-(3,4-Dihydroxyphenyl)Acrylic Acid [(2R,3S,4S,5R,6S)-6-[[2-[3,4-Dihydroxy-5-[(2S,3R,4S,5S,6R)-3,4,5-Trihydroxy-6-Methylol-Tetrahydropyran-2-Yl]Oxy-Phenyl]-7-Hydroxy-3-[(2S,3R,4S,5S,6R)-3,4,5-Trihydroxy-6-Methylol-Tetrahydropyran-2-Yl]Oxy-1-Benzopyrylium-5-Yl]Oxy]-3,4,5-Trihydroxy-Tetrahydropyran-2-Yl]Methyl Ester
• Molecular Formula: C₄₂H₄₇O₂₅
• Molecular Weight: 951.82
• CAS Registry Number: 190511-77-4
• SMILES: [O+]1=C(C(=CC2=C(C=C(C=C12)O)O[C@H]3[C@H](O)[C@@H](O)[C@H](O)[C@H](O3)COC(\C=C\C4=CC=C(C(=C4)O)O)=O)O[C@H]5[C@H](O)[C@@H](O)[C@H](O)[C@H](O5)CO)C6=CC(=C(C(=C6)O[C@H]7[C@H](O)[C@@H](O)[C@H](O)[C@H](O7)CO)O)O
• InChI: 1S/C42H46O25/c43-11-25-30(51)33(54)36(57)41(65-25)63-23-7-15(6-20(48)29(23)50)39-24(64-42-37(58)34(55)31(52)26(12-44)66-42)10-17-21(61-39)8-16(45)9-22(17)62-40-38(59)35(56)32(53)27(67-40)13-60-28(49)4-2-14-1-3-18(46)19(47)5-14/h1-10,25-27,30-38,40-44,51-59H,11-13H2,(H4-,45,46,47,48,49,50)/p+1/t25-,26-,27-,30-,31-,32-,33+,34+,35+,36-,37-,38-,40-,41-,42-/m1/s1
• InChIKey: BIBNUKILYWNEFA-XQCSBWSISA-O