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LRIPERKBPGBTEH-KMFKLEQESA-N
SpectraBase Compound ID EUjhTygHBGx
InChI InChI=1S/C83H124O44/c1-22-23-29-32-56(33-30-27-25-24-26-28-31-34-59(99)100-21)120-78-75(68(114-50(15)93)62(37(2)103-78)109-45(10)88)127-83-77(71(116-52(17)95)65(111-47(12)90)58(122-83)36-102-42(7)85)126-81-74(119-55(20)98)69(63(40(5)106-81)123-79-72(117-53(18)96)66(112-48(13)91)60(38(3)104-79)107-43(8)86)124-82-76(70(115-51(16)94)64(110-46(11)89)57(121-82)35-101-41(6)84)125-80-73(118-54(19)97)67(113-49(14)92)61(39(4)105-80)108-44(9)87/h37-40,56-58,60-83H,22-36H2,1-21H3/t37-,38+,39-,40+,56-,57-,58-,60-,61-,62-,63+,64-,65-,66-,67+,68+,69-,70+,71+,72+,73-,74-,75-,76-,77-,78+,79-,80+,81+,82+,83+/m0/s1
InChIKey LRIPERKBPGBTEH-KMFKLEQESA-N
Mol Weight 1825.9 g/mol
Molecular Formula C83H124O44
Exact Mass 1824.746547 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID BffLm4qcxL6
Name LRIPERKBPGBTEH-KMFKLEQESA-N
Compound Number 8
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C83H124O44
InChI InChI=1S/C83H124O44/c1-22-23-29-32-56(33-30-27-25-24-26-28-31-34-59(99)100-21)120-78-75(68(114-50(15)93)62(37(2)103-78)109-45(10)88)127-83-77(71(116-52(17)95)65(111-47(12)90)58(122-83)36-102-42(7)85)126-81-74(119-55(20)98)69(63(40(5)106-81)123-79-72(117-53(18)96)66(112-48(13)91)60(38(3)104-79)107-43(8)86)124-82-76(70(115-51(16)94)64(110-46(11)89)57(121-82)35-101-41(6)84)125-80-73(118-54(19)97)67(113-49(14)92)61(39(4)105-80)108-44(9)87/h37-40,56-58,60-83H,22-36H2,1-21H3/t37-,38+,39-,40+,56-,57-,58-,60-,61-,62-,63+,64-,65-,66-,67+,68+,69-,70+,71+,72+,73-,74-,75-,76-,77-,78+,79-,80+,81+,82+,83+/m0/s1
InChIKey LRIPERKBPGBTEH-KMFKLEQESA-N
Literature Reference Author R.PEREDA-MIRANDA,M.FRAGOSO-SERRANO,E.ESCALANTE-SANCHEZ,B.HER NANDEZ-CARLOS,E.LINA
Literature Reference Citation J.NAT.PROD.,69,1460(2006)
Literature Reference DOI 10.1021/np060295f
Molecular Weight 1825.871 g/mol
Solvent C5D5N
Source File Reference UWMZ17104