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cholan-24-oic acid, 3-(benzoyloxy)-12-hydroxy-, methyl ester, (3alpha,12alpha)-
SpectraBase Compound ID 4MjVu72TAGI
InChI InChI=1S/C32H46O5/c1-20(10-15-29(34)36-4)25-13-14-26-24-12-11-22-18-23(37-30(35)21-8-6-5-7-9-21)16-17-31(22,2)27(24)19-28(33)32(25,26)3/h5-9,20,22-28,33H,10-19H2,1-4H3
InChIKey WODXMQWAKLTMLB-UHFFFAOYSA-N
Mol Weight 510.7 g/mol
Molecular Formula C32H46O5
Exact Mass 510.334525 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID Ku68d6d4XF3
Name cholan-24-oic acid, 3-(benzoyloxy)-12-hydroxy-, methyl ester, (3alpha,12alpha)-
Copyright Copyright © 2022-2024 Chemical Block, Russia, Leninsky Prospect 47 - Database Compilation Copyright © 2022-2024 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 510.334524576 u
Formula C32H46O5
InChI InChI=1S/C32H46O5/c1-20(10-15-29(34)36-4)25-13-14-26-24-12-11-22-18-23(37-30(35)21-8-6-5-7-9-21)16-17-31(22,2)27(24)19-28(33)32(25,26)3/h5-9,20,22-28,33H,10-19H2,1-4H3
InChIKey WODXMQWAKLTMLB-UHFFFAOYSA-N
Molecular Weight 510.715 g/mol
NMR Offset 17.0068
NMR Spectrometer Frequency 500.134
Observed nucleus 1H
Sample State Soluted
Sample_ID 1H_CB_2017_6636
Solvent DMSO-d6
Source Vendor ID: NMR/10220139; Lab Info: FG; Lab Number: FG-G000015