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2-Pyrrolidinone, 1-[(3.beta.)-cholest-5-en-3-yl]-
SpectraBase Compound ID 6TwMGhqGrN1
InChI InChI=1S/C31H51NO/c1-21(2)8-6-9-22(3)26-13-14-27-25-12-11-23-20-24(32-19-7-10-29(32)33)15-17-30(23,4)28(25)16-18-31(26,27)5/h11,21-22,24-28H,6-10,12-20H2,1-5H3/t22-,24+,25?,26-,27?,28?,30+,31-/m1/s1
InChIKey QMGXDZUFPIVUQW-PHZPAERESA-N
Mol Weight 453.8 g/mol
Molecular Formula C31H51NO
Exact Mass 453.397065 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID IhfhSJSv36B
Name 2-Pyrrolidinone, 1-[(3.beta.)-cholest-5-en-3-yl]-
CAS Registry Number 38759-55-6
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C31H51NO
InChI InChI=1S/C31H51NO/c1-21(2)8-6-9-22(3)26-13-14-27-25-12-11-23-20-24(32-19-7-10-29(32)33)15-17-30(23,4)28(25)16-18-31(26,27)5/h11,21-22,24-28H,6-10,12-20H2,1-5H3/t22-,24+,25?,26-,27?,28?,30+,31-/m1/s1
InChIKey QMGXDZUFPIVUQW-PHZPAERESA-N
Molecular Weight 453.755 g/mol
SMILES [C@@]12(C(C3CC=C4[C@@](C3CC2)(CC[C@](N2C(=O)CCC2)(C4)[H])C)CC[C@@]1([C@@](CCCC(C)C)(C)[H])[H])C
SPLASH splash10-05n0-9003000000-73c84feb1876a056e5f5
Source of Spectrum EP-6904-0-0
Synonyms 1-[(3beta)-cholest-5-en-3-yl]-2-pyrrolidinone N-(cholest-5-en-3.beta.-yl)pyrrolidone
Wiley ID 1388555