John Wiley & Sons, Inc. SpectraBase; SpectraBase Compound ID=1owk9X0Y9rb SpectraBase Spectrum ID=2a6SZ8XmDJD

(accessed ).
LYNGBYAZOTHRIN_D
SpectraBase Compound ID 1owk9X0Y9rb
InChI InChI=1S/C73H107N13O21/c1-9-40(5)60-68(101)80-51(38-87)65(98)76-47(10-2)64(97)82-61(41(6)88)69(102)78-49(27-24-43-17-12-11-13-18-43)71(104)85-31-14-19-52(85)66(99)79-50(35-46(36-57(92)56(91)33-39(3)4)107-73(106)55(83(8)42(7)89)34-44-22-25-45(90)26-23-44)62(95)70(103)77-48(28-29-58(74)93)63(96)75-37-59(94)84-30-16-21-54(84)72(105)86-32-15-20-53(86)67(100)81-60/h10-13,17-18,22-23,25-26,39-41,46,48-57,60-62,87-88,90-92,95H,9,14-16,19-21,24,27-38H2,1-8H3,(H2,74,93)(H,75,96)(H,76,98)(H,77,103)(H,78,102)(H,79,99)(H,80,101)(H,81,100)(H,82,97)/b47-10+/t40-,41+,46?,48-,49?,50?,51-,52-,53-,54-,55?,56?,57?,60+,61-,62?/m0/s1
InChIKey XCGGFKXEWPNQFS-CRPGRYFWSA-N
Mol Weight 1502.7 g/mol
Molecular Formula C73H107N13O21
Exact Mass 1501.770449 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 2a6SZ8XmDJD
Name LYNGBYAZOTHRIN_D
Compound Number 4
Copyright Copyright © 2016-2021 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C73H107N13O21
InChI InChI=1S/C73H107N13O21/c1-9-40(5)60-68(101)80-51(38-87)65(98)76-47(10-2)64(97)82-61(41(6)88)69(102)78-49(27-24-43-17-12-11-13-18-43)71(104)85-31-14-19-52(85)66(99)79-50(35-46(36-57(92)56(91)33-39(3)4)107-73(106)55(83(8)42(7)89)34-44-22-25-45(90)26-23-44)62(95)70(103)77-48(28-29-58(74)93)63(96)75-37-59(94)84-30-16-21-54(84)72(105)86-32-15-20-53(86)67(100)81-60/h10-13,17-18,22-23,25-26,39-41,46,48-57,60-62,87-88,90-92,95H,9,14-16,19-21,24,27-38H2,1-8H3,(H2,74,93)(H,75,96)(H,76,98)(H,77,103)(H,78,102)(H,79,99)(H,80,101)(H,81,100)(H,82,97)/b47-10+/t40-,41+,46?,48-,49?,50?,51-,52-,53-,54-,55?,56?,57?,60+,61-,62?/m0/s1
InChIKey XCGGFKXEWPNQFS-CRPGRYFWSA-N
Literature Reference Author E.N.ZAINUDDIN,R.JANSEN,M.NIMTZ,V.WRAY,M.PREISITSCH,M.LALK,S. MUNDT
Literature Reference Citation J.NAT.PROD.,72,1373(2009)
Literature Reference DOI 10.1021/np8007792
Molecular Weight 1502.727 g/mol
Sample ID 33277
Solvent 50%_AQUEOUS_CD3CN:TFA
SpectraBase Batch ID 2UbH6jM7qby