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7,12-DIHYDROXY-METHYL-5-BETA-CHOL-2-ENOATE
SpectraBase Compound ID 4Rxvol285xQ
InChI InChI=1S/C25H40O4/c1-15(8-11-22(28)29-4)17-9-10-18-23-19(14-21(27)25(17,18)3)24(2)12-6-5-7-16(24)13-20(23)26/h5-6,15-21,23,26-27H,7-14H2,1-4H3/t15-,16+,17-,18+,19+,20-,21+,23+,24+,25-/m1/s1
InChIKey WORLYKPLNOTUAH-KGFCUSQPSA-N
Mol Weight 404.6 g/mol
Molecular Formula C25H40O4
Exact Mass 404.29266 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID AkdB8md7uJR
Name 7,12-DIHYDROXY-METHYL-5-BETA-CHOL-2-ENOATE
Compound Number 1
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C25H40O4
InChI InChI=1S/C25H40O4/c1-15(8-11-22(28)29-4)17-9-10-18-23-19(14-21(27)25(17,18)3)24(2)12-6-5-7-16(24)13-20(23)26/h5-6,15-21,23,26-27H,7-14H2,1-4H3/t15-,16+,17-,18+,19+,20-,21+,23+,24+,25-/m1/s1
InChIKey WORLYKPLNOTUAH-KGFCUSQPSA-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 404.590 g/mol
Solvent CDCl3
Source File Reference UWMR161