John Wiley & Sons, Inc. SpectraBase; SpectraBase Compound ID=4PcDxNsEB9F SpectraBase Spectrum ID=1k5vEXsLZ9i

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12-O-ACETYL-16-O-METHYLHYRTIOLIDE
SpectraBase Compound ID 4PcDxNsEB9F
InChI InChI=1S/C28H42O6/c1-15(29)33-20-14-18-26(4)11-8-10-25(2,3)17(26)9-12-27(18,5)19-13-16(32-7)21-22(28(19,20)6)24(31)34-23(21)30/h16-20,24,31H,8-14H2,1-7H3/t16-,17?,18-,19+,20-,24-,26+,27-,28-/m1/s1
InChIKey AAGQILLTUBPRPF-GGTMZFJJSA-N
Mol Weight 474.6 g/mol
Molecular Formula C28H42O6
Exact Mass 474.298139 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 1k5vEXsLZ9i
Name 12-O-ACETYL-16-O-METHYLHYRTIOLIDE
Compound Number 3
Copyright Copyright © 2016-2021 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C28H42O6
InChI InChI=1S/C28H42O6/c1-15(29)33-20-14-18-26(4)11-8-10-25(2,3)17(26)9-12-27(18,5)19-13-16(32-7)21-22(28(19,20)6)24(31)34-23(21)30/h16-20,24,31H,8-14H2,1-7H3/t16-,17?,18-,19+,20-,24-,26+,27-,28-/m1/s1
InChIKey AAGQILLTUBPRPF-GGTMZFJJSA-N
Literature Reference Author S.TSUKAMOTO,S.MIURA,R.W.M.VANSOEST,T.OHTA
Literature Reference Citation J.NAT.PROD.,66,438(2003)
Literature Reference DOI 10.1021/np020497l
Molecular Weight 474.638 g/mol
Solvent CDCl3
Source File Reference UWSI4700
SpectraBase Batch ID 5h2zHSG0ghu