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XESTOBERGSTEROL-B

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XESTOBERGSTEROL-B
SpectraBase Compound ID HFaRM1oHgRk
InChI InChI=1S/C27H44O7/c1-11(2)9-27(34)10-12(3)17-19(27)23(32)18-16-13(6-7-25(17,18)4)26(5)14(20(29)22(16)31)8-15(28)21(30)24(26)33/h11-22,24,28-31,33-34H,6-10H2,1-5H3/t12-,13+,14-,15+,16-,17+,18+,19-,20-,21-,22-,24-,25-,26-,27-/m1/s1
InChIKey DGXRPSIAVFYMOL-GXUOCEDMSA-N
Mol Weight 480.6 g/mol
Molecular Formula C27H44O7
Exact Mass 480.308704 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 9u1YdRvTb7m
Name 23S-16-BETA,23-CYCLO-1-BETA,2-BETA,3-ALPHA,6-ALPHA,7-BETA,23-HEXAHYDROXY-5-ALPHA,14-BETA-CHOLESTAN-15-ONE;XESTOBERGSTEROL-B
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C27H44O7
InChI InChI=1S/C27H44O7/c1-11(2)9-27(34)10-12(3)17-19(27)23(32)18-16-13(6-7-25(17,18)4)26(5)14(20(29)22(16)31)8-15(28)21(30)24(26)33/h11-22,24,28-31,33-34H,6-10H2,1-5H3/t12-,13+,14-,15+,16-,17+,18+,19-,20-,21-,22-,24-,25-,26-,27-/m1/s1
InChIKey DGXRPSIAVFYMOL-GXUOCEDMSA-N
Literature Reference Author N.SHOJI,A.UMEYAMA,K.SHIN,K.TAKEDA,S.ARIHARA,J.KOBAYASHI,M.TA KEI
Literature Reference Citation J.ORG.CHEM.,57,2996(1992)
Literature Reference DOI 10.1021/jo00037a009
Molecular Weight 480.642 g/mol
Solvent PYRIDINE-D5
Source File Reference UWCS3970