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TAUROSPONGIN-A-METHYLESTER

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TAUROSPONGIN-A-METHYLESTER
SpectraBase Compound ID 93QxOzPP85k
InChI InChI=1S/C41H73NO9S/c1-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24-25-26-27-30-40(45)50-36(2)34-38(51-37(3)43)29-28-31-41(4,46)35-39(44)42-32-33-52(47,48)49-5/h21-22,36,38,46H,6-20,23-24,27-35H2,1-5H3,(H,42,44)/b22-21-/t36-,38+,41?/m1/s1
InChIKey UKDGQLLKWMCZHR-ORVDXEROSA-N
Mol Weight 756.1 g/mol
Molecular Formula C41H73NO9S
Exact Mass 755.500604 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID EeqxjAoOvVx
Name TAUROSPONGIN-A-METHYLESTER
Compound Number 2
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C41H73NO9S
InChI InChI=1S/C41H73NO9S/c1-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24-25-26-27-30-40(45)50-36(2)34-38(51-37(3)43)29-28-31-41(4,46)35-39(44)42-32-33-52(47,48)49-5/h21-22,36,38,46H,6-20,23-24,27-35H2,1-5H3,(H,42,44)/b22-21-/t36-,38+,41?/m1/s1
InChIKey UKDGQLLKWMCZHR-ORVDXEROSA-N
Literature Reference Author H.ISHIYAMA,M.ISHIBASHI,A.OGAWA,S.YOSHIDA,J.KOBAYASHI
Literature Reference Citation J.ORG.CHEM.,62,3831(1997)
Literature Reference DOI 10.1021/jo970206r
Molecular Weight 756.092 g/mol
Solvent C6D6
Source File Reference UWCP8352