Oenothein B

CAS: 104987-36-2

Ref. TR-O302450

Informação sobre produto

• Nome: Oenothein B
• Sinónimos: [(14R,15R,37R,40R,58S,64S)-4,5,6,12,20,21,22,25,26,30,31,32,38,46,47,48,51,52-octadecahydroxy-9,17,35,43,55,61-hexaoxo-64-(3,4,5-trihydroxybenzoyl)oxy-2,10,13,16,28,36,39,42,56,62-decaoxaundecacyclo[35.15.6.514,27.111,15.03,8.018,23.029,34.040,57.044,49.050,54.024,60]tetrahexaconta-1(52),3(8),4,6,18(23),19,21,24,26,29(34),30,32,44(49),45,47,50,53,59-octadecaen-58-yl] 3,4,5-trihydroxybenzoate, 18,8-(Epoxymethano)-38,30-(ethanoxymethano)-6,9:28,31-dietheno-14H,16H,22H,36H,38H,42H-tetrabenzo[b,k,r,c₁][1,5,9,17,21,27]hexaoxacyclotetratriacontin, <span class="text-smallcaps">D</span>-glucose deriv., <span class="text-smallcaps">D</smallcap>-Glucose, cyclic 4,6-[(1S)-4-(6-carboxy-2,3,4-trihydroxyphenoxy)-4′,5,5′,6,6′-pentahydroxy[1,1′-biphenyl]-2,2′-dicarboxylate] 2-[2-[[(1S)-6,6′-dicarboxy-2,2′,3,3′,4′-pentahydroxy[1,1′-biphenyl]-4-yl]oxy]-3,4,5-trihydroxybenzoate] 3-(3,4,5-trihydroxybenzoate), cyclic ester with <smallcap>D</span>-glucose 3-(3,4,5-trihydroxybenzoate), <span class="text-smallcaps">D</smallcap>-Glucose, cyclic 4,6-[4-(6-carboxy-2,3,4-trihydroxyphenoxy)-4′,5,5′,6,6′-pentahydroxy[1,1′-biphenyl]-2,2′-dicarboxylate] 2-[2-[(6,6′-dicarboxy-2,2′,3,3′,4′-pentahydroxy[1,1′-biphenyl]-4-yl)oxy]-3,4,5-trihydroxybenzoate] 3-(3,4,5-trihydroxybenzoate), cyclic ester with <smallcap>D</span>-glucose 3-(3,4,5-trihydroxybenzoate), [2(S),4(S)]-, D-Glucose, cyclic 4,6-(4-(6-carboxy-2,3,4-trihydroxyphenoxy)-4',5,5',6,6'-pentahydroxy(1,1'-biphenyl)-2,2'-dicarboxylate) 2-(2-((6,6'-dicarboxy-2,2',3,3',4'-pentahydroxy(1,1'-biphenyl)-4-yl)oxy)-3,4,5-trihydroxybenzoate) 3-(3,4,5-trihydroxybenzoate), cyclic ester with D-glucose 3-(3,4,5-trihydroxybenzoate), (2(S),4(S))-

Descrição

Applications Oenothein B is a a macrocyclic ellagitannin that can be obtained from certain plant species including Oenothera erythrosepala Bordas. Oenothein B displays antitumor activity against MM2 ascites tumor. It has an inhibitory effect on 5 alpha-reductase and aromatase.
References Miyamoto, K., et al.: Jpn. J. Cancer Res., 84, 99 (1993); Ducrey, B., et al.: Planta Med., 63, 111 (1997);

• Marca: TRC

Propriedades químicas

• Peso molecular: 1569.082
• Fórmula: C₆₈H₄₈O₄₄
• Cor/forma: Neat
• InChI: InChI=1S/C68H48O44/c69-21-1-13(2-22(70)37(21)77)59(91)109-55-53-32-12-102-62(94)17-9-29(43(83)47(87)35(17)34-16(63(95)107-53)6-26(74)40(80)46(34)86)103-51-19(7-27(75)41(81)49(51)89)65(97)112-58-56(110-60(92)14-3-23(71)38(78)24(72)4-14)54-31(105-68(58)100)11-101-61(93)15-5-25(73)39(79)45(85)33(15)36-18(64(96)108-54)10-30(44(84)48(36)88)104-52-20(8-28(76)42(82)50(52)90)66(98)111-57(55)67(99)106-32/h1-10,31-32,53-58,67-90,99-100H,11-12H2/t31-,32-,53-,54?,55+,56+,57?,58-,67?,68?/m1/s1
• SMILES: O=C(O[C@H]1C2OC(=O)c3cc4c(O)c(O)c3-c3c(cc(O)c(O)c3O)C(=O)OC[C@H]2OC(O)[C@@H]1OC(=O)c1cc(O)c(O)c(O)c1Oc1cc2c(c(O)c1O)-c1c(cc(O)c(O)c1O)C(=O)O[C@H]1[C@H](OC(=O)c3cc(O)c(O)c(O)c3)C(OC(=O)c3cc(O)c(O)c(O)c3O4)C(O)O[C@@H]1COC2=O)c1cc(O)c(O)c(O)c1