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Prodelphinidin C2

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Prodelphinidin C2
Chemical structure of prodelphinindin C2.
Names
IUPAC name (2R,3S,4R)-4--2-(3,4,5-trihydroxyphenyl)-8--3,4-dihydro-2H-chromene-3,5,7-triol
Other names gallocatechin-(4α→8)-gallocatechin-(4α→8)-catechin
Identifiers
CAS Number
3D model (JSmol)
ChemSpider
PubChem CID
CompTox Dashboard (EPA)
InChI
  • InChI=1S/C45H38O20/c46-16-8-21(50)31-30(9-16)63-42(14-4-25(54)37(59)26(55)5-14)39(61)35(31)33-23(52)12-24(53)34-36(40(62)43(65-45(33)34)15-6-27(56)38(60)28(57)7-15)32-22(51)11-19(48)17-10-29(58)41(64-44(17)32)13-1-2-18(47)20(49)3-13/h1-9,11-12,29,35-36,39-43,46-62H,10H2/t29-,35-,36+,39-,40-,41+,42+,43+/m0/s1Key: RJFFPCHJOFXZQD-YTSXHMEESA-N
SMILES
  • C1((OC2=C1C(=CC(=C23((OC4=C(C(=CC(=C34)O)O)5((OC6=CC(=CC(=C56)O)O)C7=CC(=C(C(=C7)O)O)O)O)C8=CC(=C(C(=C8)O)O)O)O)O)O)C9=CC(=C(C=C9)O)O)O
Properties
Chemical formula C45H38O20
Molar mass 898.77 g/mol
Except where otherwise noted, data are given for materials in their standard state (at 25 °C , 100 kPa). Infobox references
Chemical compound

Prodelphinidin C2 is a prodelphinidin trimer found in malt.

References

  1. Papagiannopoulos, Menelaos; Zimmermann, Benno; Mellenthin, Annett; Krappe, Martin; Maio, Giovanni; Galensa, Rudolf (2002). "Online coupling of pressurized liquid extraction, solid-phase extraction and high-performance liquid chromatography for automated analysis of proanthocyanidins in malt". Journal of Chromatography A. 958 (1–2): 9–16. doi:10.1016/S0021-9673(02)00364-3. PMID 12134835.

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