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PEPTIDOLIPIN_B
SpectraBase Compound ID BiAv7UyWZoB
InChI InChI=1S/C59H107N7O11/c1-12-14-15-16-17-18-19-20-21-22-23-24-25-26-27-28-29-30-31-32-33-35-45-38-47(68)61-51(43(9)67)57(73)63-48(39(3)4)54(70)60-42(8)58(74)66-37-34-36-46(66)53(69)64-50(41(7)13-2)56(72)62-49(40(5)6)55(71)65-52(44(10)76-11)59(75)77-45/h39-46,48-52,67H,12-38H2,1-11H3,(H,60,70)(H,61,68)(H,62,72)(H,63,73)(H,64,69)(H,65,71)/t41-,42-,43+,44+,45+,46+,48-,49-,50+,51-,52-/m0/s1
InChIKey AZLHFAKIYLIXEW-JWEYKXOCSA-N
Mol Weight 1090.5 g/mol
Molecular Formula C59H107N7O11
Exact Mass 1089.802857 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 7XfTl7Grubh
Name PEPTIDOLIPIN_B
Compound Number 1
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C59H107N7O11
InChI InChI=1S/C59H107N7O11/c1-12-14-15-16-17-18-19-20-21-22-23-24-25-26-27-28-29-30-31-32-33-35-45-38-47(68)61-51(43(9)67)57(73)63-48(39(3)4)54(70)60-42(8)58(74)66-37-34-36-46(66)53(69)64-50(41(7)13-2)56(72)62-49(40(5)6)55(71)65-52(44(10)76-11)59(75)77-45/h39-46,48-52,67H,12-38H2,1-11H3,(H,60,70)(H,61,68)(H,62,72)(H,63,73)(H,64,69)(H,65,71)/t41-,42-,43+,44+,45+,46+,48-,49-,50+,51-,52-/m0/s1
InChIKey AZLHFAKIYLIXEW-JWEYKXOCSA-N
Literature Reference Author T.P.WYCHE,Y.HOU,E.VAZQUEZ-RIVERA,D.BRAUN,T.S.BUGNI
Literature Reference Citation J.NAT.PROD.,75,735(2012)
Literature Reference DOI 10.1021/np300016r
Molecular Weight 1090.539 g/mol
Sample ID 40335
Solvent C5D5N