CAS 82203-01-8: Agrimoniin
Formula:C82H54O52
InChI:InChI=1S/C82H54O52/c83-24-1-14(71(112)133-81-69-67(129-76(117)19-7-29(88)50(98)59(107)41(19)43-21(78(119)131-69)9-31(90)52(100)61(43)109)65-35(125-81)12-122-72(113)15-3-25(84)46(94)55(103)37(15)39-17(74(115)127-65)5-27(86)48(96)57(39)105)2-34(45(24)93)124-64-23(11-33(92)54(102)63(64)111)80(121)134-82-70-68(130-77(118)20-8-30(89)51(99)60(108)42(20)44-22(79(120)132-70)10-32(91)53(101)62(44)110)66-36(126-82)13-123-73(114)16-4-26(85)47(95)56(104)38(16)40-18(75(116)128-66)6-28(87)49(97)58(40)106/h1-11,35-36,65-70,81-111H,12-13H2
InChI key:InChIKey=BZAFROBDXRJYTQ-UHFFFAOYSA-N
SMILES:O(C(=O)C1=C(OC2=CC(C(OC3C4C(C5C(O3)COC(=O)C=6C(C=7C(C(=O)O5)=CC(O)=C(O)C7O)=C(O)C(O)=C(O)C6)OC(=O)C=8C(C=9C(C(=O)O4)=CC(O)=C(O)C9O)=C(O)C(O)=C(O)C8)=O)=CC(O)=C2O)C(O)=C(O)C(O)=C1)C%10C%11C(C%12C(O%10)COC(=O)C=%13C(C=%14C(C(=O)O%12)=CC(O)=C(O)C%14O)=C(O)C(O)=C(O)C%13)OC(=O)C=%15C(C=%16C(C(=O)O%11)=CC(O)=C(O)C%16O)=C(O)C(O)=C(O)C%15
Synonyms:- Agrimoniin
- Dibenzo[g,i]dibenzo[6',7':8',9'][1,4]dioxecino[2',3':4,5]pyrano[3,2-b][1,5]dioxacycloundecin,a-D-glucopyranose deriv.
- Dibenzo[g,i]dibenzo[6′,7′:8′,9′][1,4]dioxecino[2′,3′:4,5]pyrano[3,2-b][1,5]dioxacycloundecin, α-<span class="text-smallcaps">D</span>-glucopyranose deriv.
- a-D-Glucopyranose, cyclic2,3:4,6-bis(4,4',5,5',6,6'-hexahydroxy[1,1'-biphenyl]-2,2'-dicarboxylate)1-[2-[5-[[[2,3:4,6-bis-O-[(4,4',5,5',6,6'-hexahydroxy[1,1'-biphenyl]-2,2'-diyl)dicarbonyl]-a-D-glucopyranosyl]oxy]carbonyl]-2,3-dihydroxyphenoxy]-3,4,5-trihydroxybenzoate],stereoisomer
- α-<span class="text-smallcaps">D</smallcap>-Glucopyranose, cyclic 2,3:4,6-bis(4,4′,5,5′,6,6′-hexahydroxy[1,1′-biphenyl]-2,2′-dicarboxylate) 1-[2-[5-[[[2,3:4,6-bis-O-[(4,4′,5,5′,6,6′-hexahydroxy[1,1′-biphenyl]-2,2′-diyl)dicarbonyl]-α-<smallcap>D</span>-glucopyranosyl]oxy]carbonyl]-2,3-dihydroxyphenoxy]-3,4,5-trihydroxybenzoate], stereoisomer
- α-<span class="text-smallcaps">D</smallcap>-Glucopyranose, cyclic 2,3:4,6-bis[(1S)-4,4′,5,5′,6,6′-hexahydroxy[1,1′-biphenyl]-2,2′-dicarboxylate] 1-[2-[5-[[[2,3:4,6-bis-O-[[(1S)-4,4′,5,5′,6,6′-hexahydroxy[1,1′-biphenyl]-2,2′-diyl]dicarbonyl]-α-<smallcap>D</span>-glucopyranosyl]oxy]carbonyl]-2,3-dihydroxyphenoxy]-3,4,5-trihydroxybenzoate]
- α-D-Glucopyranose, cyclic 2,3:4,6-bis[(1S)-4,4′,5,5′,6,6′-hexahydroxy[1,1′-biphenyl]-2,2′-dicarboxylate] 1-[2-[5-[[[2,3:4,6-bis-O-[[(1S)-4,4′,5,5′,6,6′-hexahydroxy[1,1′-biphenyl]-2,2′-diyl]dicarbonyl]-α-D-glucopyranosyl]oxy]carbonyl]-2,3-dihydroxyphenoxy]-3,4,5-trihydroxybenzoate]
- Dibenzo[g,i]dibenzo[6′,7′:8′,9′][1,4]dioxecino[2′,3′:4,5]pyrano[3,2-b][1,5]dioxacycloundecin, α-D-glucopyranose deriv.
- α-D-Glucopyranose, cyclic 2,3:4,6-bis(4,4′,5,5′,6,6′-hexahydroxy[1,1′-biphenyl]-2,2′-dicarboxylate) 1-[2-[5-[[[2,3:4,6-bis-O-[(4,4′,5,5′,6,6′-hexahydroxy[1,1′-biphenyl]-2,2′-diyl)dicarbonyl]-α-D-glucopyranosyl]oxy]carbonyl]-2,3-dihydroxyphenoxy]-3,4,5-trihydroxybenzoate], stereoisomer
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