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2,4-TRANS-31-HYDROXYBULLATACINONE

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2,4-TRANS-31-HYDROXYBULLATACINONE
SpectraBase Compound ID 2FCTGezQLm9
InChI InChI=1S/C37H66O8/c1-3-16-29(39)17-12-10-11-15-20-32(41)34-22-24-36(45-34)35-23-21-33(44-35)31(40)19-14-9-7-5-4-6-8-13-18-30-26-28(25-27(2)38)37(42)43-30/h28-36,39-41H,3-26H2,1-2H3
InChIKey NPGCUMNTYUYRCR-UHFFFAOYSA-N
Mol Weight 638.9 g/mol
Molecular Formula C37H66O8
Exact Mass 638.475769 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID FBYxof2Q2jy
Name 2,4-CIS-31-HYDROXYBULLATACINONE
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C37H66O8
InChI InChI=1S/C37H66O8/c1-3-16-29(39)17-12-10-11-15-20-32(41)34-22-24-36(45-34)35-23-21-33(44-35)31(40)19-14-9-7-5-4-6-8-13-18-30-26-28(25-27(2)38)37(42)43-30/h28-36,39-41H,3-26H2,1-2H3
InChIKey NPGCUMNTYUYRCR-UHFFFAOYSA-N
Literature Reference Author Z.M.GU,X.P.FANG,L.R.MIESBAUER,D.L.SMITH,J.L.MCLAUGHLIN
Literature Reference Citation J.NAT.PROD.,56,870(1993)
Literature Reference DOI 10.1021/np50096a010
Molecular Weight 638.926 g/mol
Solvent CDCl3
Source File Reference UWCS4187