Misplaced Pages

Raspberry ellagitannin

Article snapshot taken from Wikipedia with creative commons attribution-sharealike license. Give it a read and then ask your questions in the chat. We can research this topic together.
Raspberry ellagitannin
Chemical structure of raspberry ellagitannin
Chemical structure of raspberry ellagitannin
Names
IUPAC name (10aR,11S,12aR,25aR,25bS)-23-{dibenzodioxecinopyranodioxacycloundecin-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-decahydrodibenzodibenzodioxecinopyranodioxacycloundecin-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--9,10a,11,12a,13,15,24,25a,25b,27-decahydrodibenzodibenzodioxecinopyranodioxacycloundecin-23-yl}oxy)-4,5-dihydroxybenzoate
Identifiers
3D model (JSmol)
ChemSpider
PubChem CID
InChI
  • 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/s1Key: SCUOTXCAXJHPJQ-DFBBAVCWSA-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/s1Key: SCUOTXCAXJHPJQ-DFBBAVCWBY
SMILES
  • 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
Chemical formula C116H76O74
Molar mass 2653.79 g/mol
Except where otherwise noted, data are given for materials in their standard state (at 25 °C , 100 kPa). ☒N verify (what is  ?) Infobox references
Chemical compound

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).

See also

References

Types of ellagitannins
Moieties
Lactones
Monomers
C-glycosidic ellagitannins
Dehydroellagitannins (molecules with
dehydrohexahydroxydiphenic acid (DHHDP)
Transformed ellagitannins
molecules with chebulic acid
molecules with Elaeocarpusinic acid
Oligomers
Dimers
Agrimoniin
Cornusiin E (dimer of tellimagrandin II)
Lambertianin A and B
Nobotanin B
Roburin A, B, C and D
Sanguiin H-6
Trimers
Lambertianin C
Raspberry ellagitannin
Tetramers
Lambertianin D
Nobotanin S
Pentamer
Melastoflorin A
Other
Categories: