Chemical Compound

(1S,2R)-1-[(7R,8R)-13-{6-[({(11aR,13S,14R,15S,15aR)-2,3,4,5,6,7-Hexahydroxy-9,17-dioxo-14,15-bis[(3,4,5-trihydroxybenzoyl)oxy]-9,11,11a,13,14,15,15a,17-octahydrodibenzo[g,i]pyrano[3,2-b][1,5]dioxacycloundecin-13-yl}oxy)carbonyl]-2,3,4-trihydroxyphenoxy}-1,2,3,8,14,15-hexahydroxy-5,11-dioxo-5,8,9,11-tetrahydro-7H-dibenzo[g,i][1,5]dioxacycloundecin-7-yl]-3-oxopropane-1,2-diyl bis(3,4,5-trihydroxybenzoate)

CAS Registry Number 84744-51-4
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(1S,2R)-1-[(7R,8R)-13-{6-[({(11aR,13S,14R,15S,15aR)-2,3,4,5,6,7-Hexahydroxy-9,17-dioxo-14,15-bis[(3,4,5-trihydroxybenzoyl)oxy]-9,11,11a,13,14,15,15a,17-octahydrodibenzo[g,i]pyrano[3,2-b][1,5]dioxacycloundecin-13-yl}oxy)carbonyl]-2,3,4-trihydroxyphenoxy}-1,2,3,8,14,15-hexahydroxy-5,11-dioxo-5,8,9,11-tetrahydro-7H-dibenzo[g,i][1,5]dioxacycloundecin-7-yl]-3-oxopropane-1,2-diyl bis(3,4,5-trihydroxybenzoate) 结构式
Primary record

(1S,2R)-1-[(7R,8R)-13-{6-[({(11aR,13S,14R,15S,15aR)-2,3,4,5,6,7-Hexahydroxy-9,17-dioxo-14,15-bis[(3,4,5-trihydroxybenzoyl)oxy]-9,11,11a,13,14,15,15a,17-octahydrodibenzo[g,i]pyrano[3,2-b][1,5]dioxacycloundecin-13-yl}oxy)carbonyl]-2,3,4-trihydroxyphenoxy}-1,2,3,8,14,15-hexahydroxy-5,11-dioxo-5,8,9,11-tetrahydro-7H-dibenzo[g,i][1,5]dioxacycloundecin-7-yl]-3-oxopropane-1,2-diyl bis(3,4,5-trihydroxybenzoate)

库存
1,601 克
纯度
98.8 %
CAS
84744-51-4

化合物标识与属性

CAS
84744-51-4
PubChem CID
16129738
SMILES
C1[C@H]([C@@H](OC(=O)C2=CC(=C(C(=C2C3=C(C(=C(C=C3C(=O)O1)OC4=C(C(=C(C=C4C(=O)O[C@H]5[C@@H]([C@H]([C@H]6[C@H](O5)COC(=O)C7=CC(=C(C(=C7C8=C(C(=C(C=C8C(=O)O6)O)O)O)O)O)O)OC(=O)C9=CC(=C(C(=C9)O)O)O)OC(=O)C1=CC(=C(C(=C1)O)O)O)O)O)O)O)O)O)O)O)[C@@H]([C@H](C=O)OC(=O)C1=CC(=C(C(=C1)O)O)O)OC(=O)C1=CC(=C(C(=C1)O)O)O)O
Canonical SMILES
O=C[C@H](OC(=O)c1cc(O)c(O)c(O)c1)[C@@H](OC(=O)c1cc(O)c(O)c(O)c1)[C@@H]1OC(=O)c2cc(O)c(O)c(O)c2-c2c(cc(Oc3c(C(=O)O[C@@H]4O[C@@H]5COC(=O)c6cc(O)c(O)c(O)c6-c6c(cc(O)c(O)c6O)C(=O)O[C@H]5[C@H](OC(=O)c5cc(O)c(O)c(O)c5)[C@H]4OC(=O)c4cc(O)c(O)c(O)c4)cc(O)c(O)c3O)c(O)c2O)C(=O)OC[C@H]1O

名称与同义词

  • Rugosin E
  • RefChem:180302
  • DTXSID60233756
  • SCHEMBL30515154
  • DTXCID90156247
  • C75H54O48
  • C75-H54-O48
  • 84744-51-4
  • [(10R,11S,12R,13S,15R)-3,4,5,21,22,23-hexahydroxy-8,18-dioxo-11,12-bis[(3,4,5-trihydroxybenzoyl)oxy]-9,14,17-trioxatetracyclo[17.4.0.02,7.010,15]tricosa-1(23),2,4,6,19,21-hexaen-13-yl] 2-[[(11R,12R)-3,4,11,17,18,19-hexahydroxy-8,14-dioxo-12-[(1S,2R)-3-oxo-1,2-bis[(3,4,5-trihydroxybenzoyl)oxy]propyl]-9,13-dioxatricyclo[13.4.0.02,7]nonadeca-1(19),2,4,6,15,17-hexaen-5-yl]oxy]-3,4,5-trihydroxybenzoate
  • ((10R,11S,12R,13S,15R)-3,4,5,21,22,23-hexahydroxy-8,18-dioxo-11,12-bis((3,4,5-trihydroxybenzoyl)oxy)-9,14,17-trioxatetracyclo(17.4.0.02,7.010,15)tricosa-1(23),2,4,6,19,21-hexaen-13-yl) 2-(((11R,12R)-3,4,11,17,18,19-hexahydroxy-8,14-dioxo-12-((1S,2R)-3-oxo-1,2-bis((3,4,5-trihydroxybenzoyl)oxy)propyl)-9,13-dioxatricyclo(13.4.0.02,7)nonadeca-1(19),2,4,6,15,17-hexaen-5-yl)oxy)-3,4,5-trihydroxybenzoate
  • (1S,2R)-1-[(7R,8R)-13-{6-[({(11aR,13S,14R,15S,15aR)-2,3,4,5,6,7-Hexahydroxy-9,17-dioxo-14,15-bis[(3,4,5-trihydroxybenzoyl)oxy]-9,11,11a,13,14,15,15a,17-octahydrodibenzo[g,i]pyrano[3,2-b][1,5]dioxacycloundecin-13-yl}oxy)carbonyl]-2,3,4-trihydroxyphenoxy}-1,2,3,8,14,15-hexahydroxy-5,11-dioxo-5,8,9,11-tetrahydro-7H-dibenzo[g,i][1,5]dioxacycloundecin-7-yl]-3-oxopropane-1,2-diyl bis(3,4,5-trihydroxybenzoate)
  • [hexahydroxy-dioxo-bis[(3,4,5-trihydroxybenzoyl)oxy][?]yl] 2-[hexahydroxy-dioxo-[(1S,2R)-3-oxo-1,2-bis[(3,4,5-trihydroxybenzoyl)oxy]propyl][?]yl]oxy-3,4,5-trihydroxy-benzoate
  • D-Glucose, cyclic 4-2':6-2-(4-(6-(((4,6-O-((4,4',5,5',6,6'-hexahydroxy(1,1'-biphenyl)-2,2'-diyl)dicarbonyl)-2,3-bis-O-(3,4,5-trihydroxybenzoyl)-beta-D-glucopyranosyl)oxy)carbonyl)-2,3,4-trihydroxyphenoxy)-4',5,5',6,6'-pentahydroxy(1,1'-biphenyl)-2,2'-dicarboxylate) 2,3-bis(3,4,5-trihydroxy
  • D-Glucose, cyclic 4.fwdarw.2':6.fwdarw.2-[(1S)-4-[6-[[[4,6-O-[[(1S)-4,4',5,5',6,6'-hexahydroxy[1,1'-biphenyl]-2,2'-diyl]dicarbonyl]-2,3-bis-O-(3,4,5-trihydroxybenzoyl)-.beta.-D-glucopyranosyl]oxy]carbonyl]-2,3,4-trihydroxyphenoxy]-4',5,5',6,6'-pentahydroxy[1,1'-biphenyl]-2,2'-dicarboxylate] 2,3-bis(3,4,5-trihydroxybenzoate)