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=C1OCC2OC(OC(=O)C3=CC(O)=C(O)C(OC4=C(O)C(O)=C(O)C=C4C(=O)OC5OC6COC(=O)C7=CC(O)=C(O)C(O)=C7C8=C(O)C(O)=C(O)C=C8C(=O)OC6C9OC(=O)C%10=CC(O)=C(O)C(O)=C%10C%11=C(O)C(O)=C(O)C=C%11C(=O)OC59)=C3)C%12OC(=O)C%13=CC(O)=C(O)C(O)=C%13C%14=C(O)C(O)=C(O)C=C%14C(=O)OC%12C2OC(=O)C%15=CC(O)=C(O)C(O)=C%15C%16=C(O)C(O)=C(O)C=C1%16

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

Agrimoniin

CAS: 82203-01-8

• Formula: C₈₂H₅₄O₅₂
• Purity: 95%~99%
• Molecular weight: 1871.28

Agrimoniin

CAS: 82203-01-8

• Formula: C₈₂H₅₄O₅₂
• Molecular weight: 1871.28