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BATHYMODIOLAMIDE_B
SpectraBase Compound ID BIDKZgbmRwV
InChI InChI=1S/C42H77NO7/c1-4-7-10-13-16-19-20-22-25-27-30-33-40(46)49-36-38(50-41(47)34-31-28-24-18-15-12-9-6-3)42(48)37(35-44)43-39(45)32-29-26-23-21-17-14-11-8-5-2/h12,15,24,28,37-38,42,44,48H,4-11,13-14,16-23,25-27,29-36H2,1-3H3,(H,43,45)/b15-12-,28-24-/t37-,38-,42+/m0/s1
InChIKey YTZVSMIKWGYJCS-KTQSWVMESA-N
Mol Weight 708.1 g/mol
Molecular Formula C42H77NO7
Exact Mass 707.570004 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID CSXzj2YcTRJ
Name BATHYMODIOLAMIDE_B
Compound Number 2
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C42H77NO7
InChI InChI=1S/C42H77NO7/c1-4-7-10-13-16-19-20-22-25-27-30-33-40(46)49-36-38(50-41(47)34-31-28-24-18-15-12-9-6-3)42(48)37(35-44)43-39(45)32-29-26-23-21-17-14-11-8-5-2/h12,15,24,28,37-38,42,44,48H,4-11,13-14,16-23,25-27,29-36H2,1-3H3,(H,43,45)/b15-12-,28-24-/t37-,38-,42+/m0/s1
InChIKey YTZVSMIKWGYJCS-KTQSWVMESA-N
Literature Reference Author E.H.ANDRIANASOLO,L.HARAMATY,K.L.MCPHAIL,E.WHITE,C.VETRIANI,P .FALKOWSKI,R.LUTZ
Literature Reference Citation J.NAT.PROD.,74,842(2011)
Literature Reference DOI 10.1021/np100601w
Molecular Weight 708.076 g/mol
Sample ID 38007
Solvent CD3OD