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CHOLEST-5-EN-22-YN-3-BETA,20(R),25-TRIOL

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CHOLEST-5-EN-22-YN-3-BETA,20(R),25-TRIOL
SpectraBase Compound ID 81aR3vjOwdi
InChI InChI=1S/C27H42O3/c1-24(2,29)13-6-14-27(5,30)23-10-9-21-20-8-7-18-17-19(28)11-15-25(18,3)22(20)12-16-26(21,23)4/h7,19-23,28-30H,8-13,15-17H2,1-5H3/t19-,20-,21-,22-,23-,25-,26-,27?/m0/s1
InChIKey SHTNOXSZZINQNB-DVYRZYPXSA-N
Mol Weight 414.6 g/mol
Molecular Formula C27H42O3
Exact Mass 414.313395 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID CqkhYvYZE40
Name CHOLEST-5-EN-22-YN-3-BETA,20(R),25-TRIOL
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C27H42O3
InChI InChI=1S/C27H42O3/c1-24(2,29)13-6-14-27(5,30)23-10-9-21-20-8-7-18-17-19(28)11-15-25(18,3)22(20)12-16-26(21,23)4/h7,19-23,28-30H,8-13,15-17H2,1-5H3/t19-,20-,21-,22-,23-,25-,26-,27?/m0/s1
InChIKey SHTNOXSZZINQNB-DVYRZYPXSA-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 414.629 g/mol
Solvent CD2Cl2
Source File Reference UWBK1295