| SpectraBase Compound ID | EKXNtv4I680 |
|---|---|
| InChI | InChI=1S/C29H46O3/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/h17,19-20,24-27H,6-16,18H2,1-5H3 |
| InChIKey | XJXOBWMWDHLLGM-UHFFFAOYSA-N |
| Mol Weight | 442.7 g/mol |
| Molecular Formula | C29H46O3 |
| Exact Mass | 442.344695 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | 59omBHm6112 |
|---|---|
| Name | Cholest-4-en-3-one, 26-(acetyloxy)- |
| CAS Registry Number | 53481-63-3 |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C29H46O3 |
| InChI | InChI=1S/C29H46O3/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/h17,19-20,24-27H,6-16,18H2,1-5H3 |
| InChIKey | XJXOBWMWDHLLGM-UHFFFAOYSA-N |
| Molecular Weight | 442.684 g/mol |
| SMILES | CC12C(C3C(CC2)C2(C)C(CC3)=CC(CC2)=O)CCC1C(CCCC(COC(C)=O)C)C |
| SPLASH | splash10-0aor-7910000000-aa4e1c748376786efda4 |
| Source of Spectrum | T-68-5493-0 |
| Synonyms | 3-Oxocholest-4-en-27-yl acetate Cholest-4-en-26-ol-3-one, acetate Acetic acid [6-(10,13-dimethyl-3-oxo-1,2,6,7,8,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-17-yl)-2-methylheptyl] ester [6-(10,13-dimethyl-3-oxo-1,2,6,7,8,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-17-yl)-2-methylheptyl] acetate [6-(10,13-dimethyl-3-oxo-1,2,6,7,8,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-17-yl)-2-methyl-heptyl] acetate [6-(10,13-dimethyl-3-oxidanylidene-1,2,6,7,8,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-17-yl)-2-methyl-heptyl] ethanoate |
| Wiley ID | 60215 |