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NXIUUQKBFNWMSY-CMHQYQSPSA-N
SpectraBase Compound ID 4vQBM5VTCPq
InChI InChI=1S/C27H44O5/c1-13(2)11-27(32)12-14(3)19-21(27)24(31)20-18-16(7-9-26(19,20)5)25(4)8-6-15(28)10-17(25)22(29)23(18)30/h13-23,28-30,32H,6-12H2,1-5H3/t14-,15-,16+,17-,18-,19+,20+,21-,22-,23-,25-,26-,27+/m1/s1
InChIKey NXIUUQKBFNWMSY-CMHQYQSPSA-N
Mol Weight 448.6 g/mol
Molecular Formula C27H44O5
Exact Mass 448.318875 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID G83YwuMpDgi
Name 23S-16-BETA,23-CYCLO-3-ALPHA,6-ALPHA,7-BETA,23-TETRAHYDROXY-5-ALPHA,14-BETA-CHOLESTAN-15-ONE;XESTOBERGSTEROL-A
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C27H44O5
InChI InChI=1S/C27H44O5/c1-13(2)11-27(32)12-14(3)19-21(27)24(31)20-18-16(7-9-26(19,20)5)25(4)8-6-15(28)10-17(25)22(29)23(18)30/h13-23,28-30,32H,6-12H2,1-5H3/t14-,15-,16+,17-,18-,19+,20+,21-,22-,23-,25-,26-,27+/m1/s1
InChIKey NXIUUQKBFNWMSY-CMHQYQSPSA-N
Literature Reference Author N.SHOJI,A.UMEYAMA,K.SHIN,K.TAKEDA,S.ARIHARA,J.KOBAYASHI,M.TA KEI
Literature Reference Citation J.ORG.CHEM.,57,2996(1992)
Literature Reference DOI 10.1021/jo00037a009
Molecular Weight 448.643 g/mol
Solvent PYRIDINE-D5
Source File Reference UWCS3969