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PREGN-5-ENE-3-BETA,8,12-BETA,14-BETA,17-BETA,20(S)-HEXOL
SpectraBase Compound ID KDvB8GZPvWY
InChI InChI=1S/C21H34O6/c1-12(22)19(25)8-9-21(27)18(19,3)16(24)11-15-17(2)6-5-14(23)10-13(17)4-7-20(15,21)26/h4,12,14-16,22-27H,5-11H2,1-3H3/t12?,14-,15+,16+,17-,18+,19+,20-,21+/m0/s1
InChIKey WIOBOUWMWWLZKG-HOMRZVQUSA-N
Mol Weight 382.5 g/mol
Molecular Formula C21H34O6
Exact Mass 382.235539 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 2iPZySDXycE
Name PREGN-5-ENE-3-BETA,8,12-BETA,14-BETA,17-BETA,20(S)-HEXOL
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C21H34O6
InChI InChI=1S/C21H34O6/c1-12(22)19(25)8-9-21(27)18(19,3)16(24)11-15-17(2)6-5-14(23)10-13(17)4-7-20(15,21)26/h4,12,14-16,22-27H,5-11H2,1-3H3/t12?,14-,15+,16+,17-,18+,19+,20-,21+/m0/s1
InChIKey WIOBOUWMWWLZKG-HOMRZVQUSA-N
Literature Reference Author T.YAMAGISHI,K.HAYASHI,H.MITSUHASHI,M.IMANARI,K.MATSUSHITA
Literature Reference Citation TETRAH.LETT.,14,3527(1973)
Literature Reference DOI 10.1016/S0040-4039(01)86961-6
Molecular Weight 382.497 g/mol
Solvent DMSO-D6
Source File Reference UWBK1082