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5a-Cholestane-3b,6b-diacetate

View entire compound with spectra: 1 NMR, and 1 MS (GC)

5a-Cholestane-3b,6b-diacetate
SpectraBase Compound ID JJx9qAmT1YY
InChI InChI=1S/C31H52O4/c1-19(2)9-8-10-20(3)25-11-12-26-24-18-29(35-22(5)33)28-17-23(34-21(4)32)13-15-31(28,7)27(24)14-16-30(25,26)6/h19-20,23-29H,8-18H2,1-7H3
InChIKey CCNIYQVWQJGGBH-UHFFFAOYSA-N
Mol Weight 488.8 g/mol
Molecular Formula C31H52O4
Exact Mass 488.38656 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 861ah4VTx6H
Name 5a-Cholestane-3b,6b-diacetate
CAS Registry Number 3514-29-2
Copyright Copyright © 2002-2024 Wiley-VCH Verlag GmbH & Co. KGaA. All Rights Reserved.
Formula C31H52O4
InChI InChI=1S/C31H52O4/c1-19(2)9-8-10-20(3)25-11-12-26-24-18-29(35-22(5)33)28-17-23(34-21(4)32)13-15-31(28,7)27(24)14-16-30(25,26)6/h19-20,23-29H,8-18H2,1-7H3
InChIKey CCNIYQVWQJGGBH-UHFFFAOYSA-N
Instrument Name Varian XL-100
Literature Reference C.L. Van Antwerp, H. Eggert, C. Djerassi, J. Org. Chem. 42, 789 (1977).
NMR Standard TMS
Origin Chemical Concepts. A Wiley Division. Weinheim, Germany
Solvent CDCl3