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Raspberry ellagitannin - Wikipedia Jump to content

Raspberry ellagitannin

From Wikipedia, the free encyclopedia
Raspberry ellagitannin
Chemical structure of raspberry ellagitannin
Chemical structure of raspberry ellagitannin
Chemical structure of raspberry ellagitannin
Chemical structure of raspberry ellagitannin
Names
IUPAC name
(10aR,11S,12aR,25aR,25bS)-23-{[(10aR,11S,12aR,25aR,25bS)-2,3,4,5,6,7,17,18,19,20,21,22-Dodecahydroxy-9,15,24,27-tetraoxo-9,10a,11,12a,13,15,24,25a,25b,27-decahydrodibenzo[g,i]dibenzo[6',7':8',9'][1,4]dioxecino[2',3':4,5]pyrano[3,2-b][1,5]dioxacycloundecin-11-yl]oxy}-2,3,4,5,6,7,17,18,19,20,21,22-dodecahydroxy-9,15,24,27-tetraoxo-9,10a,11,12a,13,15,24,25a,25b,27-decahydrodibenzo[g,i]dibenzo[6',7':8',9'][1,4]dioxecino[2',3':4,5]pyrano[3,2-b][1,5]dioxacycloundecin-11-yl 3-({(10aR,11S,12aR,25aR,25bS)-2,3,4,5,6,7,17,18,19,20,21,22-dodecahydroxy-9,15,24,27-tetraoxo-11-[(3,4,5-trihydroxybenzoyl)oxy]-9,10a,11,12a,13,15,24,25a,25b,27-decahydrodibenzo[g,i]dibenzo[6',7':8',9'][1,4]dioxecino[2',3':4,5]pyrano[3,2-b][1,5]dioxacycloundecin-23-yl}oxy)-4,5-dihydroxybenzoate
Identifiers
3D model (JSmol)
ChemSpider
  • InChI=1S/C116H76O74/c117-30-1-18(2-31(118)61(30)130)100(158)189-115-98-95(183-107(165)25-10-38(125)66(135)76(145)50(25)53-28(110(168)186-98)13-41(128)69(138)79(53)148)90-45(177-115)16-173-103(161)21-6-34(121)71(140)81(150)55(21)57-59(112(170)180-90)92(87(156)85(154)83(57)152)175-43-4-19(3-32(119)62(43)131)101(159)190-116-99-96(184-108(166)26-11-39(126)67(136)77(146)51(26)54-29(111(169)187-99)14-42(129)70(139)80(54)149)91-46(178-116)17-174-104(162)22-7-35(122)72(141)82(151)56(22)58-60(113(171)181-91)93(88(157)86(155)84(58)153)188-114-97-94(182-106(164)24-9-37(124)65(134)75(144)49(24)52-27(109(167)185-97)12-40(127)68(137)78(52)147)89-44(176-114)15-172-102(160)20-5-33(120)63(132)73(142)47(20)48-23(105(163)179-89)8-36(123)64(133)74(48)143/h1-14,44-46,89-91,94-99,114-157H,15-17H2/t44-,45-,46-,89-,90-,91-,94+,95+,96+,97-,98-,99-,114+,115+,116+/m1/s1 ☒N
    Key: SCUOTXCAXJHPJQ-DFBBAVCWSA-N ☒N
  • InChI=1/C116H76O74/c117-30-1-18(2-31(118)61(30)130)100(158)189-115-98-95(183-107(165)25-10-38(125)66(135)76(145)50(25)53-28(110(168)186-98)13-41(128)69(138)79(53)148)90-45(177-115)16-173-103(161)21-6-34(121)71(140)81(150)55(21)57-59(112(170)180-90)92(87(156)85(154)83(57)152)175-43-4-19(3-32(119)62(43)131)101(159)190-116-99-96(184-108(166)26-11-39(126)67(136)77(146)51(26)54-29(111(169)187-99)14-42(129)70(139)80(54)149)91-46(178-116)17-174-104(162)22-7-35(122)72(141)82(151)56(22)58-60(113(171)181-91)93(88(157)86(155)84(58)153)188-114-97-94(182-106(164)24-9-37(124)65(134)75(144)49(24)52-27(109(167)185-97)12-40(127)68(137)78(52)147)89-44(176-114)15-172-102(160)20-5-33(120)63(132)73(142)47(20)48-23(105(163)179-89)8-36(123)64(133)74(48)143/h1-14,44-46,89-91,94-99,114-157H,15-17H2/t44-,45-,46-,89-,90-,91-,94+,95+,96+,97-,98-,99-,114+,115+,116+/m1/s1
    Key: SCUOTXCAXJHPJQ-DFBBAVCWBY
  • Oc7c(O)cc%21c(c7O)-c6c(O)c(O)c(O)cc6C(=O)OCC(C(OC%21=O)C%15OC(=O)c(cc%16O)c-4c(O)c%16O)OC(C%15OC(=O)c(c-4c%23O)cc(O)c%23O)Oc(c1O)c(c(c(O)c1O)-c(c%10O)c%13cc(O)c%10O)C(=O)OC%11C(COC%13=O)OC(C(OC(=O)c(cc(O)c%19O)c(c%19O)-c%12c8O)C%11OC(=O)c%12cc(O)c8O)OC(=O)c(cc%20O)cc(c%20O)Oc(c(O)c(O)c3O)c%18c3-c5c(O)c(O)c(O)cc5C(=O)OCC(OC(OC(=O)c(cc%22O)cc(O)c%22O)C%17OC(=O)c%14cc(O)c2O)C(OC%18=O)C%17OC(=O)c9cc(O)c(O)c(O)c9-c%14c2O
Properties
C116H76O74
Molar mass 2653.79 g/mol
Except where otherwise noted, data are given for materials in their standard state (at 25 °C [77 °F], 100 kPa).
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Raspberry ellagitannin is an ellagitannin found in raspberries. It is a polyphenol per se, containing 6 ellagic acid-type components and two additional monomeric phenolics, for a total of 14 gallic acid units (and all of their substituent phenolic hydroxyl groups).[citation needed]

See also

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References

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