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SCH-217048
SpectraBase Compound ID H7MOaoNTBCe
InChI InChI=1S/C57H88N10O14/c1-12-34(7)46-55(78)67-28-18-17-22-40(67)51(74)61-45(32(3)4)54(77)64(10)41(25-27-44(70)71)57(80)81-48(35(8)13-2)52(75)60-37(30-36-20-15-14-16-21-36)53(76)66-29-19-23-39(66)49(72)59-31-43(69)65(11)47(33(5)6)56(79)63(9)38(50(73)62-46)24-26-42(58)68/h14-16,20-21,32-35,37-41,45-48H,12-13,17-19,22-31H2,1-11H3,(H2,58,68)(H,59,72)(H,60,75)(H,61,74)(H,62,73)(H,70,71)
InChIKey DJDJISZVDIETFI-UHFFFAOYSA-N
Mol Weight 1137.4 g/mol
Molecular Formula C57H88N10O14
Exact Mass 1136.648148 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID LEoIfVGqi8U
Name SCH_217048
Compound Number 1
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C57H88N10O14
InChI InChI=1S/C57H88N10O14/c1-12-34(7)46-55(78)67-28-18-17-22-40(67)51(74)61-45(32(3)4)54(77)64(10)41(25-27-44(70)71)57(80)81-48(35(8)13-2)52(75)60-37(30-36-20-15-14-16-21-36)53(76)66-29-19-23-39(66)49(72)59-31-43(69)65(11)47(33(5)6)56(79)63(9)38(50(73)62-46)24-26-42(58)68/h14-16,20-21,32-35,37-41,45-48H,12-13,17-19,22-31H2,1-11H3,(H2,58,68)(H,59,72)(H,60,75)(H,61,74)(H,62,73)(H,70,71)
InChIKey DJDJISZVDIETFI-UHFFFAOYSA-N
Literature Reference Author V.R.HEDGE,M.S.PUAR,T.M.CHAN,P.DAI,P.R.DAS,M.PATEL
Literature Reference Citation J.ORG.CHEM.,63,9584(1998)
Literature Reference DOI 10.1021/jo981467j
Molecular Weight 1137.384 g/mol
Sample ID 26649
Solvent DMSO-D6