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SECOEMESTRIN_D

View entire compound with spectra: 1 NMR

SECOEMESTRIN_D
SpectraBase Compound ID BvnEQIA9lyp
InChI InChI=1S/C27H24N2O8S4/c1-28-24(33)27-13-17-14-36-10-9-21(37-23(32)16-5-8-20(35-2)19(31)11-16)22(17)29(27)25(34)26(28,38-40-41-39-27)12-15-3-6-18(30)7-4-15/h3-11,14,21-22,30-31H,12-13H2,1-2H3/t21-,22+,26-,27-/m1/s1
InChIKey ONXASDRNDFVLMR-JRAXSAEOSA-N
Mol Weight 632.7 g/mol
Molecular Formula C27H24N2O8S4
Exact Mass 632.04155 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 8mrIBe82mIo
Name SECOEMESTRIN_D
Compound Number 1
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C27H24N2O8S4
InChI InChI=1S/C27H24N2O8S4/c1-28-24(33)27-13-17-14-36-10-9-21(37-23(32)16-5-8-20(35-2)19(31)11-16)22(17)29(27)25(34)26(28,38-40-41-39-27)12-15-3-6-18(30)7-4-15/h3-11,14,21-22,30-31H,12-13H2,1-2H3/t21-,22+,26-,27-/m1/s1
InChIKey ONXASDRNDFVLMR-JRAXSAEOSA-N
Literature Reference Author Y.M.XU,P.ESPINOSA-ARTILES,M.X.LIU,A.E.ARNOLD,A.A.L.GUNATILAK A
Literature Reference Citation J.NAT.PROD.,76,2330(2013)
Literature Reference DOI 10.1021/np400762k
Molecular Weight 632.736 g/mol
Solvent CDCl3
Source File Reference UWMZ43614