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Propanamide, N-[(3.beta.)-cholest-5-en-3-yl]-2-methyl-
SpectraBase Compound ID GxLvWvZOqVP
InChI InChI=1S/C31H53NO/c1-20(2)9-8-10-22(5)26-13-14-27-25-12-11-23-19-24(32-29(33)21(3)4)15-17-30(23,6)28(25)16-18-31(26,27)7/h11,20-22,24-28H,8-10,12-19H2,1-7H3,(H,32,33)/t22-,24+,25?,26-,27?,28?,30+,31-/m1/s1
InChIKey QJBRYZIJDSIQME-PHZPAERESA-N
Mol Weight 455.8 g/mol
Molecular Formula C31H53NO
Exact Mass 455.412715 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID KbBDe5ldOPL
Name Propanamide, N-[(3.beta.)-cholest-5-en-3-yl]-2-methyl-
CAS Registry Number 38759-53-4
Copyright Copyright © 2020-2025 John Wiley & Sons, Inc. All Rights Reserved.
Formula C31H53NO
InChI InChI=1S/C31H53NO/c1-20(2)9-8-10-22(5)26-13-14-27-25-12-11-23-19-24(32-29(33)21(3)4)15-17-30(23,6)28(25)16-18-31(26,27)7/h11,20-22,24-28H,8-10,12-19H2,1-7H3,(H,32,33)/t22-,24+,25?,26-,27?,28?,30+,31-/m1/s1
InChIKey QJBRYZIJDSIQME-PHZPAERESA-N
Molecular Weight 455.771 g/mol
SMILES N(C(=O)C(C)C)[C@]1(CC[C@@]2(C3CC[C@]4(C(C3CC=C2C1)CC[C@@]4([C@@](CCCC(C)C)(C)[H])[H])C)C)[H]
SPLASH splash10-014r-9207000000-440ef613bbad5919810f
Source of Spectrum EP-6902-0-0
Synonyms 3.beta.-isobutyramidecholest-5-ene N-[(3beta)-cholest-5-en-3-yl]-2-methylpropanamide
Wiley ID 1389095