OCTAFUHALOL-C-HENEICOSAACETATE

SpectraBase Compound ID	1Inj2WD6y9
InChI	InChI=1S/C90H76O49/c1-35(91)112-56-22-65(117-40(6)96)79(66(23-56)118-41(7)97)137-74-32-71(123-46(12)102)83(128-51(17)107)89(131-54(20)110)86(74)135-59-28-69(121-44(10)100)81(70(29-59)122-45(11)101)139-76-34-73(125-48(14)104)84(129-52(18)108)90(132-55(21)111)87(76)136-60-30-67(119-42(8)98)80(68(31-60)120-43(9)99)138-75-33-72(124-47(13)103)82(127-50(16)106)88(130-53(19)109)85(75)134-58-26-63(115-38(4)94)78(64(27-58)116-39(5)95)133-57-24-61(113-36(2)92)77(126-49(15)105)62(25-57)114-37(3)93/h22-34H,1-21H3
InChIKey	ZKLJOXWUIBEIDX-UHFFFAOYSA-N Google Search
Mol Weight	1941.5 g/mol
Molecular Formula	C90H76O49
Exact Mass	1940.345519 g/mol

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SpectraBase Spectrum ID	3xI06Is67rV
Name	OCTAFUHALOL-C-HENEICOSAACETATE
Compound Number	2
Copyright	Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula	C90H76O49
InChI	InChI=1S/C90H76O49/c1-35(91)112-56-22-65(117-40(6)96)79(66(23-56)118-41(7)97)137-74-32-71(123-46(12)102)83(128-51(17)107)89(131-54(20)110)86(74)135-59-28-69(121-44(10)100)81(70(29-59)122-45(11)101)139-76-34-73(125-48(14)104)84(129-52(18)108)90(132-55(21)111)87(76)136-60-30-67(119-42(8)98)80(68(31-60)120-43(9)99)138-75-33-72(124-47(13)103)82(127-50(16)106)88(130-53(19)109)85(75)134-58-26-63(115-38(4)94)78(64(27-58)116-39(5)95)133-57-24-61(113-36(2)92)77(126-49(15)105)62(25-57)114-37(3)93/h22-34H,1-21H3
InChIKey	ZKLJOXWUIBEIDX-UHFFFAOYSA-N
Literature Reference Author	K.W.GLOMBITZA,A.SCHMIDT
Literature Reference Citation	J.NAT.PROD.,62,1238(1999)
Literature Reference DOI	10.1021/np990076c
Molecular Weight	1941.564 g/mol
Solvent	CDCl3
Source File Reference	UWCP8625