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Butanamide, 4-chloro-N-[(3.beta.)-cholest-5-en-3-yl]-
SpectraBase Compound ID 75ajILqTMdc
InChI InChI=1S/C31H52ClNO/c1-21(2)8-6-9-22(3)26-13-14-27-25-12-11-23-20-24(33-29(34)10-7-19-32)15-17-30(23,4)28(25)16-18-31(26,27)5/h11,21-22,24-28H,6-10,12-20H2,1-5H3,(H,33,34)/t22-,24+,25?,26-,27?,28?,30+,31-/m1/s1
InChIKey MFEKHRAFTOAMJX-PHZPAERESA-N
Mol Weight 490.2 g/mol
Molecular Formula C31H52ClNO
Exact Mass 489.373743 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 2xsPbS6Utex
Name Butanamide, 4-chloro-N-[(3.beta.)-cholest-5-en-3-yl]-
CAS Registry Number 38759-54-5
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C31H52ClNO
InChI InChI=1S/C31H52ClNO/c1-21(2)8-6-9-22(3)26-13-14-27-25-12-11-23-20-24(33-29(34)10-7-19-32)15-17-30(23,4)28(25)16-18-31(26,27)5/h11,21-22,24-28H,6-10,12-20H2,1-5H3,(H,33,34)/t22-,24+,25?,26-,27?,28?,30+,31-/m1/s1
InChIKey MFEKHRAFTOAMJX-PHZPAERESA-N
Molecular Weight 490.216 g/mol
SMILES N(C(=O)CCCCl)[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 splash10-000i-9301600000-4207d78d30c22aceb141
Source of Spectrum EP-6903-0-0
Synonyms 3.beta.-(4'chloro)butyramidocholest-5-ene 4-Chloro-N-[(3beta)-cholest-5-en-3-yl]butanamide
Wiley ID 1397100