Gentiodelphin
[CAS# 84331-34-0]

Identification

• Name: Gentiodelphin
• Synonyms: [(2R,3S,4S,5R,6S)-6-[2-[3-[(2S,3R,4S,5S,6R)-6-[[(E)-3-(3,4-Dihydroxyphenyl)Prop-2-Enoyl]Oxymethyl]-3,4,5-Trihydroxy-Tetrahydropyran-2-Yl]Oxy-4,5-Dihydroxy-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 Chloride; (E)-3-(3,4-Dihydroxyphenyl)Prop-2-Enoic Acid [(2R,3S,4S,5R,6S)-6-[[2-[3-[[(2S,3R,4S,5S,6R)-6-[[(E)-3-(3,4-Dihydroxyphenyl)-1-Oxoprop-2-Enoxy]Methyl]-3,4,5-Trihydroxy-2-Tetrahydropyranyl]Oxy]-4,5-Dihydroxyphenyl]-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 Chloride; (E)-3-(3,4-Dihydroxyphenyl)Acrylic Acid [(2R,3S,4S,5R,6S)-6-[[2-[3-[(2S,3R,4S,5S,6R)-6-(Caffeoyloxymethyl)-3,4,5-Trihydroxy-Tetrahydropyran-2-Yl]Oxy-4,5-Dihydroxy-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 Chloride
• Molecular Formula: C₅₁H₅₃ClO₂₈
• Molecular Weight: 1149.42
• CAS Registry Number: 84331-34-0
• SMILES: [O+]1=C6C(=CC(=C1C2=CC(=C(O)C(=C2)O[C@@H]3O[C@@H]([C@@H](O)[C@H](O)[C@H]3O)COC(=O)\C=C\C4=CC(=C(O)C=C4)O)O)O[C@@H]5O[C@@H]([C@@H](O)[C@H](O)[C@H]5O)CO)C(=CC(=C6)O)O[C@@H]7O[C@@H]([C@@H](O)[C@H](O)[C@H]7O)COC(=O)\C=C\C8=CC(=C(O)C=C8)O.[Cl-]
• InChI: 1S/C51H52O28.ClH/c52-16-33-39(62)42(65)45(68)51(77-33)76-32-15-23-29(13-22(53)14-30(23)74-49-46(69)43(66)40(63)34(78-49)17-71-36(59)7-3-19-1-5-24(54)26(56)9-19)73-48(32)21-11-28(58)38(61)31(12-21)75-50-47(70)44(67)41(64)35(79-50)18-72-37(60)8-4-20-2-6-25(55)27(57)10-20;/h1-15,33-35,39-47,49-52,62-70H,16-18H2,(H6-,53,54,55,56,57,58,59,60,61);1H/t33-,34-,35-,39-,40-,41-,42+,43+,44+,45-,46-,47-,49-,50-,51-;/m1./s1
• InChIKey: UQMSNFAFNLWTHR-HCPIIDCVSA-N