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22,24-DIEPITEASTERONE;(22S,23R,24R)-3-BETA,22,23-TRIHYDROXY-24-METHYL-5-ALPHA-CHOLESTAN-6-ONE
SpectraBase Compound ID GxP4yeiE9BG
InChI InChI=1S/C28H48O4/c1-15(2)16(3)25(31)26(32)17(4)20-7-8-21-19-14-24(30)23-13-18(29)9-11-28(23,6)22(19)10-12-27(20,21)5/h15-23,25-26,29,31-32H,7-14H2,1-6H3/t16-,17+,18+,19?,20-,21?,22?,23?,25-,26+,27-,28-/m1/s1
InChIKey SBSXXCCMIWEPEE-PVHKMPNXSA-N
Mol Weight 448.7 g/mol
Molecular Formula C28H48O4
Exact Mass 448.35526 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID CmGgJgrAHKu
Name 22,24-DIEPITEASTERONE;(22S,23R,24R)-3-BETA,22,23-TRIHYDROXY-24-METHYL-5-ALPHA-CHOLESTAN-6-ONE
Compound Number 3
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C28H48O4
InChI InChI=1S/C28H48O4/c1-15(2)16(3)25(31)26(32)17(4)20-7-8-21-19-14-24(30)23-13-18(29)9-11-28(23,6)22(19)10-12-27(20,21)5/h15-23,25-26,29,31-32H,7-14H2,1-6H3/t16-,17+,18+,19?,20-,21?,22?,23?,25-,26+,27-,28-/m1/s1
InChIKey SBSXXCCMIWEPEE-PVHKMPNXSA-N
Literature Reference Author S.DROSIHN,A.PORZEL,B.VOIGT,W.BRANDT,C.WAGNER,K.MERZWEILER,G. ADAM
Literature Reference Citation J.CHEM.SOC.PERKIN-2,233(1999)
Literature Reference DOI 10.1039/a807440b
Molecular Weight 448.687 g/mol
Solvent CDCl3
Source File Reference UWRU10277