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17-O-[N-(PHENYL)-CARBAMOYL]-LATRUNCULIN_A
SpectraBase Compound ID 3RjEkLagnUA
InChI InChI=1S/C29H36N2O6S/c1-20-10-6-3-4-7-11-21(2)16-26(32)35-24-17-23(15-14-20)36-29(18-24,25-19-38-28(34)31-25)37-27(33)30-22-12-8-5-9-13-22/h3-6,8-10,12-13,16,20,23-25H,7,11,14-15,17-19H2,1-2H3,(H,30,33)(H,31,34)/b4-3+,10-6-,21-16-/t20-,23-,24-,25-,29+/m0/s1
InChIKey AJLVAOHKVXQLIG-COMIMUSGSA-N
Mol Weight 540.7 g/mol
Molecular Formula C29H36N2O6S
Exact Mass 540.229408 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID A9JjUtxWCmI
Name 17-O-[N-(PHENYL)-CARBAMOYL]-LATRUNCULIN_A
Compound Number 5
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C29H36N2O6S
InChI InChI=1S/C29H36N2O6S/c1-20-10-6-3-4-7-11-21(2)16-26(32)35-24-17-23(15-14-20)36-29(18-24,25-19-38-28(34)31-25)37-27(33)30-22-12-8-5-9-13-22/h3-6,8-10,12-13,16,20,23-25H,7,11,14-15,17-19H2,1-2H3,(H,30,33)(H,31,34)/b4-3+,10-6-,21-16-/t20-,23-,24-,25-,29+/m0/s1
InChIKey AJLVAOHKVXQLIG-COMIMUSGSA-N
Literature Reference Author K.A.ELSAYED,M.A.KHANFAR,H.M.SHALLAL,A.MURALIDHARAN,B.AWATE,D .T.A.YOUSSEF,Y.LIU,Y
Literature Reference Citation J.NAT.PROD.,71,396(2008)
Literature Reference DOI 10.1021/np070587w
Molecular Weight 540.675 g/mol
Sample ID 27404
Solvent CDCl3