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EPI-DIHYDRO-TACHYSTEROL-(2);(VITAMIN-D-DERIVATIVE)
SpectraBase Compound ID EAaSq04Mkhn
InChI InChI=1S/C28H46O/c1-19(2)20(3)9-10-22(5)26-15-16-27-23(8-7-17-28(26,27)6)12-13-24-18-25(29)14-11-21(24)4/h9-10,12-13,19-22,25-27,29H,7-8,11,14-18H2,1-6H3/b10-9+,23-12+,24-13+/t20?,21-,22+,25+,26+,27?,28+/m0/s1
InChIKey ILYCWAKSDCYMBB-VHHUZKIOSA-N
Mol Weight 398.7 g/mol
Molecular Formula C28H46O
Exact Mass 398.354866 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID ERvMBVcQnB9
Name EPI-DIHYDRO-TACHYSTEROL-(2);(VITAMIN-D-DERIVATIVE)
CAS Registry Number 62777-58-6
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C28H46O
InChI InChI=1S/C28H46O/c1-19(2)20(3)9-10-22(5)26-15-16-27-23(8-7-17-28(26,27)6)12-13-24-18-25(29)14-11-21(24)4/h9-10,12-13,19-22,25-27,29H,7-8,11,14-18H2,1-6H3/b10-9+,23-12+,24-13+/t20?,21-,22+,25+,26+,27?,28+/m0/s1
InChIKey ILYCWAKSDCYMBB-VHHUZKIOSA-N
Literature Reference Author E.BERMAN,Z.LUZ,Y.MAZUR,M.SHEVES
Literature Reference Citation J.ORG.CHEM.,42,3325(1977)
Literature Reference DOI 10.1021/jo00441a001
Molecular Weight 398.673 g/mol
Solvent CDCl3
Source File Reference UWWR5066