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(8'S)-HEMIBASTADINOL-3

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(8'S)-HEMIBASTADINOL-3
SpectraBase Compound ID K7mH5637tY9
InChI InChI=1S/C17H16Br3NO4/c18-11-5-9(1-2-14(11)22)8-15(23)17(25)21-4-3-10-6-12(19)16(24)13(20)7-10/h1-2,5-7,15,22-24H,3-4,8H2,(H,21,25)/t15-/m0/s1
InChIKey KTCXMUWGHHIRCQ-HNNXBMFYSA-N
Mol Weight 538.03 g/mol
Molecular Formula C17H16Br3NO4
Exact Mass 534.862947 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 8kyHUMhY53c
Name (8'S)-HEMIBASTADINOL-3
Compound Number 14
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C17H16Br3NO4
InChI InChI=1S/C17H16Br3NO4/c18-11-5-9(1-2-14(11)22)8-15(23)17(25)21-4-3-10-6-12(19)16(24)13(20)7-10/h1-2,5-7,15,22-24H,3-4,8H2,(H,21,25)/t15-/m0/s1
InChIKey KTCXMUWGHHIRCQ-HNNXBMFYSA-N
Literature Reference Author G.R.PETTIT,M.S.BUTLER,M.D.WILLIAMS,M.J.FILIATRAULT,R.K.PETIT
Literature Reference Citation J.NAT.PROD.,59,927(1996)
Literature Reference DOI 10.1021/np960249n
Molecular Weight 538.030 g/mol
Solvent CD3OD
Source File Reference UWVP729