| SpectraBase Compound ID | EEcHwIM5iGa |
|---|---|
| InChI | InChI=1S/C26H40O4/c1-16(5-10-24(28)29)21-8-9-22-20-7-6-18-15-19(30-17(2)27)11-13-25(18,3)23(20)12-14-26(21,22)4/h6,16,19-23H,5,7-15H2,1-4H3,(H,28,29) |
| InChIKey | JBALICPRCDQXRA-UHFFFAOYSA-N |
| Mol Weight | 416.6 g/mol |
| Molecular Formula | C26H40O4 |
| Exact Mass | 416.29266 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | 35wVrIVEjNe |
|---|---|
| Name | 3-(Acetyloxy)chol-5-en-24-oic acid |
| CAS Registry Number | 19462-13-6 |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C26H40O4 |
| InChI | InChI=1S/C26H40O4/c1-16(5-10-24(28)29)21-8-9-22-20-7-6-18-15-19(30-17(2)27)11-13-25(18,3)23(20)12-14-26(21,22)4/h6,16,19-23H,5,7-15H2,1-4H3,(H,28,29) |
| InChIKey | JBALICPRCDQXRA-UHFFFAOYSA-N |
| Molecular Weight | 416.602 g/mol |
| SMILES | OC(CCC(C1C2(CCC3C4(CCC(CC4=CCC3C2CC1)OC(C)=O)C)C)C)=O |
| SPLASH | splash10-0a4i-8958000000-5bcb3182c95a28df49a4 |
| Source of Spectrum | NP-14-8020-0 |
| Synonyms | 3.beta.-Acetoxy-5-cholenic acid 4-(3-acetoxy-10,13-dimethyl-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-17-yl)pentanoic acid 4-(3-acetyloxy-10,13-dimethyl-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-17-yl)pentanoic acid |
| Wiley ID | 1112007 |