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2-ALPHA,3-BETA,15-TRIACETYLAFROGENIN,(5-ALPHA-H)
SpectraBase Compound ID GECsmdnMrZC
InChI InChI=1S/C29H40O9/c1-15(30)36-23-11-19-6-7-21-20(27(19,4)13-24(23)37-16(2)31)8-9-28(5)22(18-10-26(33)35-14-18)12-25(29(21,28)34)38-17(3)32/h10,19-25,34H,6-9,11-14H2,1-5H3/t19-,20-,21+,22+,23+,24+,25?,27-,28+,29-/m0/s1
InChIKey KJCYVCUBCZQQDH-HWDHFDDSSA-N
Mol Weight 532.6 g/mol
Molecular Formula C29H40O9
Exact Mass 532.267233 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID EGq2DaHQIyN
Name 2-ALPHA,3-BETA,15-TRIACETYLAFROGENIN,(5-ALPHA-H)
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C29H40O9
InChI InChI=1S/C29H40O9/c1-15(30)36-23-11-19-6-7-21-20(27(19,4)13-24(23)37-16(2)31)8-9-28(5)22(18-10-26(33)35-14-18)12-25(29(21,28)34)38-17(3)32/h10,19-25,34H,6-9,11-14H2,1-5H3/t19-,20-,21+,22+,23+,24+,25?,27-,28+,29-/m0/s1
InChIKey KJCYVCUBCZQQDH-HWDHFDDSSA-N
Literature Reference Author H.T.A.CHEUNG,R.G.COOMBE,W.T.L.SIDWELL,T.R.WATSON
Literature Reference Citation J.CHEM.SOC.PERKIN-1,64(1981)
Literature Reference DOI 10.1039/p19810000064
Molecular Weight 532.631 g/mol
Solvent CDCl3
Source File Reference UNIW8504