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2,4-TRANS-28-HYDROXY-BULLATACINONE

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2,4-TRANS-28-HYDROXY-BULLATACINONE
SpectraBase Compound ID 8WeLpF82dIn
InChI InChI=1S/C37H66O8/c1-3-4-5-12-16-29(39)17-15-20-32(41)34-22-24-36(45-34)35-23-21-33(44-35)31(40)19-14-11-9-7-6-8-10-13-18-30-26-28(25-27(2)38)37(42)43-30/h28-36,39-41H,3-26H2,1-2H3/t28?,29-,30-,31+,32-,33+,34+,35+,36+/m0/s1
InChIKey BHXLNEIOVWTFLN-FBRUGKQCSA-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 B6mKRh8hsxz
Name 2,4-TRANS-28-HYDROXY-BULLATACINONE
Compound Number 5
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C37H66O8
InChI InChI=1S/C37H66O8/c1-3-4-5-12-16-29(39)17-15-20-32(41)34-22-24-36(45-34)35-23-21-33(44-35)31(40)19-14-11-9-7-6-8-10-13-18-30-26-28(25-27(2)38)37(42)43-30/h28-36,39-41H,3-26H2,1-2H3/t28?,29-,30-,31+,32-,33+,34+,35+,36+/m0/s1
InChIKey BHXLNEIOVWTFLN-FBRUGKQCSA-N
Literature Reference Author Z.M.GU,L.ZENG,J.T.SCHWEDLER,K.V.WOOD,J.L.MCLAUGHLIN
Literature Reference Citation PHYTOCHEM.,40,467(1995)
Literature Reference DOI 10.1016/0031-9422(95)00308-T
Molecular Weight 638.926 g/mol
Solvent CDCl3
Source File Reference UWVN3556