John Wiley & Sons, Inc. SpectraBase; SpectraBase Compound ID=DxaRG74XC7h SpectraBase Spectrum ID=109pOrBasVT

(accessed ).
(25S),16(S),22(S),26-TRIHYDROXYCHOLEST-4-EN-3-ONE
SpectraBase Compound ID DxaRG74XC7h
InChI InChI=1S/C27H44O4/c1-16(15-28)5-8-23(30)17(2)25-24(31)14-22-20-7-6-18-13-19(29)9-11-26(18,3)21(20)10-12-27(22,25)4/h13,16-17,20-25,28,30-31H,5-12,14-15H2,1-4H3/t16-,17-,20?,21?,22?,23-,24+,25+,26+,27+/m1/s1
InChIKey WTHGALCYJGSRNA-FMATVNFWSA-N
Mol Weight 432.6 g/mol
Molecular Formula C27H44O4
Exact Mass 432.32396 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 109pOrBasVT
Name (25S),16(S),22(S),26-TRIHYDROXYCHOLEST-4-EN-3-ONE
Compound Number 15
Copyright Copyright © 2016-2020 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C27H44O4
InChI InChI=1S/C27H44O4/c1-16(15-28)5-8-23(30)17(2)25-24(31)14-22-20-7-6-18-13-19(29)9-11-26(18,3)21(20)10-12-27(22,25)4/h13,16-17,20-25,28,30-31H,5-12,14-15H2,1-4H3/t16-,17-,20?,21?,22?,23-,24+,25+,26+,27+/m1/s1
InChIKey WTHGALCYJGSRNA-FMATVNFWSA-N
Literature Reference Author H.ACHENBACH,H.HUEBNER,M.REITER
Literature Reference Citation PHYTOCHEM.,41,907(1996)
Literature Reference DOI 10.1016/0031-9422(95)00622-2
Molecular Weight 432.644 g/mol
Solvent CD3OD
Source File Reference UWLU4143
SpectraBase Batch ID GuUB8HlTYZW