| SpectraBase Compound ID | 5gwuFVhXVEy |
|---|---|
| InChI | InChI=1S/C29H46O2/c1-19(2)8-7-9-20(3)25-12-13-26-24-11-10-22-18-23(31-21(4)30)14-16-28(22,5)27(24)15-17-29(25,26)6/h10,19,23-27H,3,7-9,11-18H2,1-2,4-6H3/t23-,24?,25+,26?,27?,28-,29+/m0/s1 |
| InChIKey | AEEQEBIHCPUGGD-PYIKZNRKSA-N |
| Mol Weight | 426.7 g/mol |
| Molecular Formula | C29H46O2 |
| Exact Mass | 426.349781 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | 7A2MWTU0JgF |
|---|---|
| Name | 20(21)-Dehydrocholesteryl 3.beta.-Acetate |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C29H46O2 |
| InChI | InChI=1S/C29H46O2/c1-19(2)8-7-9-20(3)25-12-13-26-24-11-10-22-18-23(31-21(4)30)14-16-28(22,5)27(24)15-17-29(25,26)6/h10,19,23-27H,3,7-9,11-18H2,1-2,4-6H3/t23-,24?,25+,26?,27?,28-,29+/m0/s1 |
| InChIKey | AEEQEBIHCPUGGD-PYIKZNRKSA-N |
| Molecular Weight | 426.685 g/mol |
| SMILES | [C@@]12(C(C3CC=C4[C@@](C3CC2)(CC[C@](OC(=O)C)(C4)[H])C)CC[C@@]1(C(=C)CCCC(C)C)[H])C |
| SPLASH | splash10-014i-0019300000-5305eeccaa6c0df48186 |
| Source of Spectrum | F4-0-2758-7 |
| Wiley ID | 1620340 |