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ZAVMPSVOEQNVCP-GGNPKCJSSA-N
SpectraBase Compound ID IOLKe5j47Yp
InChI InChI=1S/C51H79NO13/c1-31(26-35(5)45(55)47(64-10)46(56)36(6)28-34(4)41(53)23-19-32(2)27-38-21-24-42(54)44(29-38)63-9)16-12-11-13-17-33(3)43(62-8)30-39-22-20-37(7)51(61,65-39)48(57)49(58)52-25-15-14-18-40(52)50(59)60/h11-13,16-17,19,23,28,31-32,34-35,37-40,42-44,46-47,54,56,61H,14-15,18,20-22,24-27,29-30H2,1-10H3,(H,59,60)/b13-11+,16-12+,23-19+,33-17+,36-28+/t31-,32-,34-,35+,37+,38+,39-,40-,42-,43+,44-,46-,47+,51+/m0/s1
InChIKey ZAVMPSVOEQNVCP-GGNPKCJSSA-N
Mol Weight 914.2 g/mol
Molecular Formula C51H79NO13
Exact Mass 913.555142 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID JvqgTvTLT7J
Name ZAVMPSVOEQNVCP-GGNPKCJSSA-N
Compound Number 3-TRANS
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C51H79NO13
InChI InChI=1S/C51H79NO13/c1-31(26-35(5)45(55)47(64-10)46(56)36(6)28-34(4)41(53)23-19-32(2)27-38-21-24-42(54)44(29-38)63-9)16-12-11-13-17-33(3)43(62-8)30-39-22-20-37(7)51(61,65-39)48(57)49(58)52-25-15-14-18-40(52)50(59)60/h11-13,16-17,19,23,28,31-32,34-35,37-40,42-44,46-47,54,56,61H,14-15,18,20-22,24-27,29-30H2,1-10H3,(H,59,60)/b13-11+,16-12+,23-19+,33-17+,36-28+/t31-,32-,34-,35+,37+,38+,39-,40-,42-,43+,44-,46-,47+,51+/m0/s1
InChIKey ZAVMPSVOEQNVCP-GGNPKCJSSA-N
Literature Reference Author C.C.ZHOU,K.D.STEWART,M.K.DHAON
Literature Reference Citation MAGN.RES.CHEM.,43,41(2005)
Literature Reference DOI 10.1002/mrc.1501
Molecular Weight 914.187 g/mol
Sample ID 27493
Solvent DMSO-D6