| SpectraBase Compound ID | C4u6O44oh2z |
|---|---|
| InChI | InChI=1S/C29H44O3/c1-19(18-32-21(3)30)7-6-8-20(2)25-11-12-26-24-10-9-22-17-23(31)13-15-28(22,4)27(24)14-16-29(25,26)5/h13,15,17,19-20,24-27H,6-12,14,16,18H2,1-5H3/t19-,20-,24+,25-,26+,27+,28+,29-/m1/s1 |
| InChIKey | XGSCILNWBRBCMF-IKBFPWGHSA-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 | yC02qagBN7 |
|---|---|
| Name | Cholesta-1,4-dien-3-one, 26-(acetyloxy)-, (25R)- |
| CAS Registry Number | 71473-06-8 |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C29H44O3 |
| InChI | InChI=1S/C29H44O3/c1-19(18-32-21(3)30)7-6-8-20(2)25-11-12-26-24-10-9-22-17-23(31)13-15-28(22,4)27(24)14-16-29(25,26)5/h13,15,17,19-20,24-27H,6-12,14,16,18H2,1-5H3/t19-,20-,24+,25-,26+,27+,28+,29-/m1/s1 |
| InChIKey | XGSCILNWBRBCMF-IKBFPWGHSA-N |
| Molecular Weight | 440.668 g/mol |
| SMILES | [C@@]12(C(=CC(C=C2)=O)CC[C@]2([C@@]3(CC[C@@]([C@]3(CC[C@]12[H])C)([C@@](CCC[C@](COC(=O)C)(C)[H])(C)[H])[H])[H])[H])C |
| SPLASH | splash10-00di-0900200000-934828b4f0d478a62d7b |
| Source of Spectrum | K-112-2690-0 |
| Synonyms | (25R)-26-Acetoxy-1,4-cholestadien-3-one (25R)-3-oxocholesta-1,4-dien-27-yl acetate |
| Wiley ID | 1384862 |