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3-HYDROXY-METHYL-5-BETA-CHOL-8(14)-ENOATE
SpectraBase Compound ID IjSIuRusEfW
InChI InChI=1S/C25H40O3/c1-16(5-10-23(27)28-4)20-8-9-21-19-7-6-17-15-18(26)11-13-24(17,2)22(19)12-14-25(20,21)3/h16-18,20,22,26H,5-15H2,1-4H3/t16-,17-,18-,20-,22+,24+,25-/m1/s1
InChIKey WADGWZFCOJJOCI-GXCLZSIHSA-N
Mol Weight 388.6 g/mol
Molecular Formula C25H40O3
Exact Mass 388.297745 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 7s2L7rShq2g
Name 3-HYDROXY-METHYL-5-BETA-CHOL-8(14)-ENOATE
Compound Number 1 4
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C25H40O3
InChI InChI=1S/C25H40O3/c1-16(5-10-23(27)28-4)20-8-9-21-19-7-6-17-15-18(26)11-13-24(17,2)22(19)12-14-25(20,21)3/h16-18,20,22,26H,5-15H2,1-4H3/t16-,17-,18-,20-,22+,24+,25-/m1/s1
InChIKey WADGWZFCOJJOCI-GXCLZSIHSA-N
Literature Reference Author T.IIDA,J.GOTO,T.NAMBARA
Literature Reference Citation MAGN.RES.CHEM.,31,421(1993)
Literature Reference DOI 10.1002/mrc.1260310423
Molecular Weight 388.591 g/mol
Solvent CDCl3
Source File Reference UWMR174