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Acetamide, N-[(3.beta.)-3-(acetyloxy)cholest-5-en-24-yl]-
SpectraBase Compound ID 6wHytnJmPSE
InChI InChI=1S/C31H51NO3/c1-19(2)29(32-21(4)33)13-8-20(3)26-11-12-27-25-10-9-23-18-24(35-22(5)34)14-16-30(23,6)28(25)15-17-31(26,27)7/h9,19-20,24-29H,8,10-18H2,1-7H3,(H,32,33)/t20-,24+,25?,26-,27?,28?,29?,30+,31-/m1/s1
InChIKey PVDYFIVLWUJRLB-WZDOXVTCSA-N
Mol Weight 485.8 g/mol
Molecular Formula C31H51NO3
Exact Mass 485.386895 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID K2hPUNTGzgc
Name Acetamide, N-[(3.beta.)-3-(acetyloxy)cholest-5-en-24-yl]-
Alternate Name(s) Cholestane, acetamide deriv. (24.XI.)-N-acetyl-24-aminocholesteryl acetate (3beta)-24-(acetylamino)cholest-5-en-3-yl acetate
CAS Registry Number 131932-74-6
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C31H51NO3
InChI InChI=1S/C31H51NO3/c1-19(2)29(32-21(4)33)13-8-20(3)26-11-12-27-25-10-9-23-18-24(35-22(5)34)14-16-30(23,6)28(25)15-17-31(26,27)7/h9,19-20,24-29H,8,10-18H2,1-7H3,(H,32,33)/t20-,24+,25?,26-,27?,28?,29?,30+,31-/m1/s1
InChIKey PVDYFIVLWUJRLB-WZDOXVTCSA-N
Molecular Weight 485.753 g/mol
SMILES N(C(CC[C@]([C@@]1([C@@]2(C(C3CC=C4[C@@](C3CC2)(CC[C@](OC(=O)C)(C4)[H])C)CC1)C)[H])(C)[H])C(C)C)C(=O)C
SPLASH splash10-03k9-9360000000-4937c5b7025752108ed1
Source of Spectrum C-113-1390-0
Wiley ID 1396315