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12-O-(4-(((1-PHENYLTHIO)-METHYL)-1H-1,2,3-TRIAZOL-4-YL)-BUTANOYLOXY)-11,20-EPOXYABIETA-8,11,13-TRIEN-20-ONE
SpectraBase Compound ID 3DJvRVt7SSY
InChI InChI=1S/C33H39N3O4S/c1-21(2)25-18-22-14-15-26-32(3,4)16-9-17-33(26)28(22)30(40-31(33)38)29(25)39-27(37)13-8-10-23-19-36(35-34-23)20-41-24-11-6-5-7-12-24/h5-7,11-12,18-19,21,26H,8-10,13-17,20H2,1-4H3/t26-,33+/m0/s1
InChIKey MOBVAKJMIOHADP-OOOSNSGVSA-N
Mol Weight 573.8 g/mol
Molecular Formula C33H39N3O4S
Exact Mass 573.266128 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID FJbxVBv4lfU
Name 12-O-(4-(((1-PHENYLTHIO)-METHYL)-1H-1,2,3-TRIAZOL-4-YL)-BUTANOYLOXY)-11,20-EPOXYABIETA-8,11,13-TRIEN-20-ONE
Compound Number 2
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C33H39N3O4S
InChI InChI=1S/C33H39N3O4S/c1-21(2)25-18-22-14-15-26-32(3,4)16-9-17-33(26)28(22)30(40-31(33)38)29(25)39-27(37)13-8-10-23-19-36(35-34-23)20-41-24-11-6-5-7-12-24/h5-7,11-12,18-19,21,26H,8-10,13-17,20H2,1-4H3/t26-,33+/m0/s1
InChIKey MOBVAKJMIOHADP-OOOSNSGVSA-N
Literature Reference Author M.W.PERTINO,C.THEODULOZ,E.BUTASSI,S.ZACCHINO,G.SCHMEDA-HIRSC HMANN
Literature Reference Citation MOLECULES,20,8666(2015)
Literature Reference DOI 10.3390/molecules20058666
Molecular Weight 573.750 g/mol
Solvent CDCl3
Source File Reference UWPA3141