SpectraBase Compound ID | 75ajILqTMdc |
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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 |
SpectraBase Spectrum ID | 2xsPbS6Utex |
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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 |