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CHOLEST-5-EN-22-YN-3-BETA,25-DIOL
SpectraBase Compound ID LRQGjFOW617
InChI InChI=1S/C27H42O2/c1-18(7-6-14-25(2,3)29)22-10-11-23-21-9-8-19-17-20(28)12-15-26(19,4)24(21)13-16-27(22,23)5/h8,18,20-24,28-29H,9-17H2,1-5H3/t18-,20+,21+,22-,23+,24+,26+,27-/m1/s1
InChIKey VWNIKYRNFAKYDY-ZHHJOTBYSA-N
Mol Weight 398.6 g/mol
Molecular Formula C27H42O2
Exact Mass 398.318481 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 7IpzYQSi1B6
Name CHOLEST-5-EN-22-YN-3-BETA,25-DIOL
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C27H42O2
InChI InChI=1S/C27H42O2/c1-18(7-6-14-25(2,3)29)22-10-11-23-21-9-8-19-17-20(28)12-15-26(19,4)24(21)13-16-27(22,23)5/h8,18,20-24,28-29H,9-17H2,1-5H3/t18-,20+,21+,22-,23+,24+,26+,27-/m1/s1
InChIKey VWNIKYRNFAKYDY-ZHHJOTBYSA-N
Literature Reference Author A.BURGER,F.COLOBERT,C.HETRU,B.LUU
Literature Reference Citation TETRAHEDRON,44,1141(1988)
Literature Reference DOI 10.1016/S0040-4020(01)85894-4
Molecular Weight 398.629 g/mol
Solvent CD2Cl2
Source File Reference UWBK1289