| SpectraBase Compound ID | LBreBnaph0C |
|---|---|
| InChI | InChI=1S/C31H52O2/c1-20(2)10-9-11-21(3)24-13-14-25-23-12-15-27-29(5,6)28(33-22(4)32)17-19-31(27,8)26(23)16-18-30(24,25)7/h15,20-21,23-26,28H,9-14,16-19H2,1-8H3/t21-,23?,24-,25+,26+,28+,30-,31-/m1/s1 |
| InChIKey | PTDBQIJPNPGLEF-YQMHLXDUSA-N |
| Mol Weight | 456.8 g/mol |
| Molecular Formula | C31H52O2 |
| Exact Mass | 456.396731 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | Dul0Wp9IYHY |
|---|---|
| Name | 4,4-Dimethylcholest-5-en-3.beta.-yl acetate |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C31H52O2 |
| InChI | InChI=1S/C31H52O2/c1-20(2)10-9-11-21(3)24-13-14-25-23-12-15-27-29(5,6)28(33-22(4)32)17-19-31(27,8)26(23)16-18-30(24,25)7/h15,20-21,23-26,28H,9-14,16-19H2,1-8H3/t21-,23?,24-,25+,26+,28+,30-,31-/m1/s1 |
| InChIKey | PTDBQIJPNPGLEF-YQMHLXDUSA-N |
| Molecular Weight | 456.755 g/mol |
| SMILES | C1=2[C@@]([C@]3(CC[C@]4([C@](C3CC2)(CC[C@@]4([C@@](CCCC(C)C)(C)[H])[H])[H])C)[H])(CC[C@@](C1(C)C)(OC(=O)C)[H])C |
| SPLASH | splash10-0006-9027200000-a0c408651d32793c00f8 |
| Source of Spectrum | KC-0-2384-5 |
| Synonyms | (3beta)-4,4-dimethylcholest-5-en-3-yl acetate |
| Wiley ID | 786468 |