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Substance Name: Nobotanin F
RN: 104669-05-8
InChIKey: XDXYBJAIJZFTCY-UHFFFAOYSA-N

Molecular Formula

  • C82-H56-O52

Molecular Weight

  • 1873.2924
 
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Names and Synonyms

Results Name

  • Nobotanin F

Synonym

  • Nobotanin F

Systematic Name

  • beta-D-Glucopyranose, cyclic 4-2':6-2-((1S)-4-(6-carboxy-2,3,4-trihydroxyphenoxy)-4',5,5',6,6'-pentahydroxy(1,1'-biphenyl)-2,2'-dicarboxylate) cyclic 2,3-((1S)-4,4',5,5',6,6'-hexahydroxy(1,1'-biphenyl)-2,2'-dicarboxylate) 1-(3,4,5-trihydroxybenzoate), ester with beta-D-glucopyranose cyclic 2,3-((1S)-4,4',5,5',6,6'-hexahydroxy(1,1'-biphenyl)-2,2'-dicarboxylate) 1,6-bis(3,4,5-trihydroxybenzoate)

Registry Numbers

CAS Registry Number

  • 104669-05-8

System Generated Number

  • 0104669058

Structure Descriptors

InChI

1S/C82H56O52/c83-26-1-16(2-27(84)47(26)95)71(112)122-14-39-66(68-70(81(125-39)133-72(113)17-3-28(85)48(96)29(86)4-17)132-79(120)23-11-36(93)53(101)60(108)44(23)42-21(77(118)130-68)9-34(91)51(99)58(42)106)128-80(121)25-12-37(94)55(103)63(111)64(25)124-38-13-24-46(62(110)56(38)104)45-19(7-32(89)54(102)61(45)109)75(116)127-65-40(15-123-74(24)115)126-82(134-73(114)18-5-30(87)49(97)31(88)6-18)69-67(65)129-76(117)20-8-33(90)50(98)57(105)41(20)43-22(78(119)131-69)10-35(92)52(100)59(43)107/h1-13,39-40,65-70,81-111H,14-15H2

InChIKey

XDXYBJAIJZFTCY-UHFFFAOYSA-N

Smiles

c1c(cc(c(c1O)O)O)C(=O)OCC2C(C3C(C(O2)OC(=O)c4cc(c(c(c4)O)O)O)OC(=O)c5cc(c(c(c5-c6c(cc(c(c6O)O)O)C(=O)O3)O)O)O)OC(=O)c7cc(c(c(c7Oc8cc9c(c(c8O)O)-c1c(cc(c(c1O)O)O)C(=O)OC1C(COC9=O)OC(C2C1OC(=O)c1cc(c(c(c1-c1c(cc(c(c1O)O)O)C(=O)O2)O)O)O)OC(=O)c1cc(c(c(c1)O)O)O)O)O)O