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Bicornin

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Bicornin
Identifiers
Chemical structure of bicornin
CAS Number	124854-12-2
3D model (JSmol)	Interactive image
ChemSpider	28190824
PubChem CID	71308161
CompTox Dashboard(EPA)	DTXSID40745428
InChI InChI=1S/C48H32O30/c49-17-1-11(2-18(50)29(17)58)42(65)76-40-38-26(72-48(78-44(67)13-5-21(53)31(60)22(54)6-13)41(40)77-43(66)12-3-19(51)30(59)20(52)4-12)10-71-45(68)16-9-23(55)32(61)35(64)36(16)73-37-25(57)8-14-27(34(37)63)28-15(47(70)74-38)7-24(56)33(62)39(28)75-46(14)69/h1-9,26,38,40-41,48-64H,10H2/t26-,38-,40-,41-,48+/m1/s1 Key: DOTJYWQAPHIAIF-TWNAEOARSA-N InChI=1/C48H32O30/c49-17-1-11(2-18(50)29(17)58)42(65)76-40-38-26(72-48(78-44(67)13-5-21(53)31(60)22(54)6-13)41(40)77-43(66)12-3-19(51)30(59)20(52)4-12)10-71-45(68)16-9-23(55)32(61)35(64)36(16)73-37-25(57)8-14-27(34(37)63)28-15(47(70)74-38)7-24(56)33(62)39(28)75-46(14)69/h1-9,26,38,40-41,48-64H,10H2/t26-,38-,40-,41-,48+/m1/s1 Key: DOTJYWQAPHIAIF-TWNAEOARBX
SMILES c1c(cc(c(c1O)O)O)C(=O)O[C@@H]2[C@H]3[C@@H](COC(=O)c4cc(c(c(c4Oc5c(cc6c(c5O)c7c(cc(c(c7oc6=O)O)O)C(=O)O3)O)O)O)O)O[C@H]([C@@H]2OC(=O)c8cc(c(c(c8)O)O)O)OC(=O)c9cc(c(c(c9)O)O)O
Properties
Chemical formula	C₄₈H₃₂O₃₀
Molar mass	1088.754 g·mol⁻¹
Except where otherwise noted, data are given for materials in theirstandard state (at 25 °C [77 °F], 100 kPa). Infobox references

Chemical compound

Bicornin is anellagitannin found in plants of theorder Myrtales, includingTrapa bicornis (water caltrop)^[1] andSyzygium aromaticum (clove).^[2]

The molecule contains aluteic acid group.^[3]

^Yoshida T, Yazaki K, Memon M.U, Maruyama I, Kurokawa K and Okuda T (1989)."Bicornin, a new hydrolyzable tannin from Trapa bicornis, and revised structure of alnusiin".Heterocycles.29 (5):861–864.doi:10.3987/COM-89-4951.{{cite journal}}: CS1 maint: multiple names: authors list (link)INIST 6780591
^Yoshida T, Yazaki K, Memon M.U, Maruyama I, Kurokawa K, Shingu T and Okuda T (1989)."Structures of alnusiin and bicornin, new hydrolyzable tannins having a monolactonized tergalloyl group".Chemical and Pharmaceutical Bulletin.37 (10):2655–2660.doi:10.3987/COM-11-12392.{{cite journal}}: CS1 maint: multiple names: authors list (link)INIST 19467830
^Yoshida, Takashi; Yazaki, Kazufumi; Memon, Muhammad Usman; Maruyama, Izumi; Kurokawa, Kenji; Shingu, Tetsuro; Okuda, Takuo (1989). "Structures of alnusiin and bicornin, new hydrolyzable tannins having a monolactonized tergalloyl group".Chemical and Pharmaceutical Bulletin.37 (10):2655–2660.doi:10.1248/cpb.37.2655.

Moieties

Lactones

Monomers

C-glycosidic ellagitannins

Dehydroellagitannins (molecules with
dehydrohexahydroxydiphenic acid (DHHDP)

Transformed ellagitannins

molecules withchebulic acid	Chebulagic acid Chebulinic acid
molecules withElaeocarpusinic acid	Elaeocarpusin Helioscopin B Mallojaponin (1-O-Galloyl-2,4-elaeocarpusinoyl-3,6-(R)-valoneayl-beta-D-glucose)

Oligomers

Dimers: Agrimoniin; Cornusiin E (dimer of tellimagrandin II); Lambertianin A andB; Nobotanin B; Roburin A,B,C andD; Sanguiin H-6

Other

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