| SpectraBase Compound ID | ESbzJTWBB4i |
|---|---|
| InChI | InChI=1S/C26H44O4/c1-16(6-5-13-30-17(2)27)20-7-8-21-24-22(10-12-26(20,21)4)25(3)11-9-19(28)14-18(25)15-23(24)29/h16,18-24,28-29H,5-15H2,1-4H3/t16-,18+,19-,20-,21+,22+,23-,24+,25+,26-/m1/s1 |
| InChIKey | UDXWOSGCZCIVIG-KEBZJGFESA-N |
| Mol Weight | 420.6 g/mol |
| Molecular Formula | C26H44O4 |
| Exact Mass | 420.32396 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | IlEs4blfWze |
|---|---|
| Name | 24-(Acetoxy)-3.alpha.,7.alpha.-dihydroxy-5.beta.-cholane |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C26H44O4 |
| InChI | InChI=1S/C26H44O4/c1-16(6-5-13-30-17(2)27)20-7-8-21-24-22(10-12-26(20,21)4)25(3)11-9-19(28)14-18(25)15-23(24)29/h16,18-24,28-29H,5-15H2,1-4H3/t16-,18+,19-,20-,21+,22+,23-,24+,25+,26-/m1/s1 |
| InChIKey | UDXWOSGCZCIVIG-KEBZJGFESA-N |
| Molecular Weight | 420.634 g/mol |
| SMILES | O[C@]1(C[C@@]2([C@@]([C@]3(CC[C@]4([C@]([C@@]3([C@@](C2)(O)[H])[H])(CC[C@@]4([C@@](CCCOC(=O)C)(C)[H])[H])[H])C)[H])(CC1)C)[H])[H] |
| SPLASH | splash10-001i-0009300000-381e62648b01397db609 |
| Source of Spectrum | C-121-6651-20 |
| Wiley ID | 1700240 |