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chol-23-ene-3,12-diol, 24,24-diphenyl-, diacetate, (3beta,12alpha)-
SpectraBase Compound ID Lk5oqyP2ODD
InChI InChI=1S/C40H52O4/c1-26(16-18-33(29-12-8-6-9-13-29)30-14-10-7-11-15-30)35-20-21-36-34-19-17-31-24-32(43-27(2)41)22-23-39(31,4)37(34)25-38(40(35,36)5)44-28(3)42/h6-15,18,26,31-32,34-38H,16-17,19-25H2,1-5H3
InChIKey PXGXVJQZVLXWGR-UHFFFAOYSA-N
Mol Weight 596.9 g/mol
Molecular Formula C40H52O4
Exact Mass 596.38656 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID 6aFZPiqAWvg
Name chol-23-ene-3,12-diol, 24,24-diphenyl-, diacetate, (3beta,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 596.386560150 u
Formula C40H52O4
InChI InChI=1S/C40H52O4/c1-26(16-18-33(29-12-8-6-9-13-29)30-14-10-7-11-15-30)35-20-21-36-34-19-17-31-24-32(43-27(2)41)22-23-39(31,4)37(34)25-38(40(35,36)5)44-28(3)42/h6-15,18,26,31-32,34-38H,16-17,19-25H2,1-5H3
InChIKey PXGXVJQZVLXWGR-UHFFFAOYSA-N
Molecular Weight 596.852 g/mol
NMR Offset 17.0068
NMR Spectrometer Frequency 500.134
Observed nucleus 1H
Sample State Soluted
Sample_ID 1H_CB_2017_11455
Solvent DMSO-d6
Source Vendor ID: NMR/10220142; Lab Info: FG; Lab Number: FG-G000035