PROCYANIDIN-C1-PERACETATE

SpectraBase Compound ID	5ckMF55cNF6
InChI	InChI=1S/C75H68O33/c1-30(76)91-48-25-57(99-38(9)84)63-58(26-48)106-70(46-17-20-51(93-32(3)78)55(23-46)97-36(7)82)74(104-43(14)89)67(63)65-60(101-40(11)86)29-61(102-41(12)87)66-68(75(105-44(15)90)71(108-73(65)66)47-18-21-52(94-33(4)79)56(24-47)98-37(8)83)64-59(100-39(10)85)28-53(95-34(5)80)49-27-62(103-42(13)88)69(107-72(49)64)45-16-19-50(92-31(2)77)54(22-45)96-35(6)81/h16-26,28-29,62,67-71,74-75H,27H2,1-15H3/t62-,67-,68+,69-,70-,71-,74-,75-/m1/s1
InChIKey	KRPGVSJJSXPITF-QQXXADROSA-N Google Search
Mol Weight	1497.3 g/mol
Molecular Formula	C75H68O33
Exact Mass	1496.364285 g/mol

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SpectraBase Spectrum ID	FWFmYNYYdLV
Name	PROCYANIDIN-C1-PERACETATE
Compound Number	4A
Copyright	Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula	C75H68O33
InChI	InChI=1S/C75H68O33/c1-30(76)91-48-25-57(99-38(9)84)63-58(26-48)106-70(46-17-20-51(93-32(3)78)55(23-46)97-36(7)82)74(104-43(14)89)67(63)65-60(101-40(11)86)29-61(102-41(12)87)66-68(75(105-44(15)90)71(108-73(65)66)47-18-21-52(94-33(4)79)56(24-47)98-37(8)83)64-59(100-39(10)85)28-53(95-34(5)80)49-27-62(103-42(13)88)69(107-72(49)64)45-16-19-50(92-31(2)77)54(22-45)96-35(6)81/h16-26,28-29,62,67-71,74-75H,27H2,1-15H3/t62-,67-,68+,69-,70-,71-,74-,75-/m1/s1
InChIKey	KRPGVSJJSXPITF-QQXXADROSA-N
Literature Reference Author	F.O.RESENDE,E.RODRIGUES-FILHO,H.LUFTMANN,F.PETEREID,J.C.P.D. MELLO
Literature Reference Citation	J.BRAZ.CHEM.SOC.,22,2087(2011)
Literature Reference DOI	10.1590/s0103-50532011001100010
Molecular Weight	1497.345 g/mol
Source File Reference	UWBT5730