Prodelphinidin C2

Prodelphinidin C2
Names
	IUPAC name (2R,3S,4R)-4-[(2R,3S)-2-(3,4-dihydroxyphenyl)-3,5,7-trihydroxy-3,4-dihydro-2H-chromen-8-yl]-2-(3,4,5-trihydroxyphenyl)-8-[(2R,3S,4S)-3,5,7-trihydroxy-2-(3,4,5-trihydroxyphenyl)-3,4-dihydro-2H-chromen-4-yl]-3,4-dihydro-2H-chromene-3,5,7-triol
	Other names gallocatechin-(4α→8)-gallocatechin-(4α→8)-catechin
Identifiers
CAS Number	79136-97-3 ;
3D model (JSmol)	Interactive image;
ChemSpider	71044268;
PubChem CID	71623698;
CompTox Dashboard (EPA)	DTXSID30904148;
	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/s1 Key: RJFFPCHJOFXZQD-YTSXHMEESA-N;
	SMILES C1[C@@H]([C@H](OC2=C1C(=CC(=C2[C@H]3[C@@H]([C@H](OC4=C(C(=CC(=C34)O)O)[C@H]5[C@@H]([C@H](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 [77 °F], 100 kPa). Infobox references

Prodelphinidin C2 is a prodelphinidin trimer found in malt.^[1]

References

^ 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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Names

IUPAC name (2R,3S,4R)-4-[(2R,3S)-2-(3,4-dihydroxyphenyl)-3,5,7-trihydroxy-3,4-dihydro-2H-chromen-8-yl]-2-(3,4,5-trihydroxyphenyl)-8-[(2R,3S,4S)-3,5,7-trihydroxy-2-(3,4,5-trihydroxyphenyl)-3,4-dihydro-2H-chromen-4-yl]-3,4-dihydro-2H-chromene-3,5,7-triol
Other names gallocatechin-(4α→8)-gallocatechin-(4α→8)-catechin
Identifiers
CAS Number	79136-97-3^N
3D model (JSmol)	Interactive image
ChemSpider	71044268
PubChem CID	71623698
CompTox Dashboard (EPA)	DTXSID30904148
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/s1 Key: RJFFPCHJOFXZQD-YTSXHMEESA-N
SMILES C1[C@@H]([C@H](OC2=C1C(=CC(=C2[C@H]3[C@@H]([C@H](OC4=C(C(=CC(=C34)O)O)[C@H]5[C@@H]([C@H](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 [77 °F], 100 kPa). Infobox references