| SpectraBase Compound ID | 3ZTcDMY8Pw9 |
|---|---|
| InChI | InChI=1S/C29H44O3/c1-18(2)8-7-9-19(3)23-10-11-24-27-25(13-15-29(23,24)6)28(5)14-12-22(32-20(4)30)16-21(28)17-26(27)31/h7,9,17-19,22-25,27H,8,10-16H2,1-6H3/b9-7+/t19-,22+,23?,24?,25?,27?,28+,29-/m1/s1 |
| InChIKey | IPRWLHSLTADHOL-WDDYQXBOSA-N |
| Mol Weight | 440.7 g/mol |
| Molecular Formula | C29H44O3 |
| Exact Mass | 440.329045 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | 2jolqoevb6 |
|---|---|
| Name | 7-keto-(trans)-.delta(22).-cholesterol - acetate |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C29H44O3 |
| InChI | InChI=1S/C29H44O3/c1-18(2)8-7-9-19(3)23-10-11-24-27-25(13-15-29(23,24)6)28(5)14-12-22(32-20(4)30)16-21(28)17-26(27)31/h7,9,17-19,22-25,27H,8,10-16H2,1-6H3/b9-7+/t19-,22+,23?,24?,25?,27?,28+,29-/m1/s1 |
| InChIKey | IPRWLHSLTADHOL-WDDYQXBOSA-N |
| Molecular Weight | 440.668 g/mol |
| SMILES | [C@@]12(C(C3C(C=C4[C@@](C3CC2)(CC[C@](OC(=O)C)(C4)[H])C)=O)CCC1[C@@](\C=C\CC(C)C)(C)[H])C |
| SPLASH | splash10-00l7-0094500000-cde12256f65485c83442 |
| Source of Spectrum | Y4-84-268-6 |
| Wiley ID | 1550114 |