| SpectraBase Compound ID | GNHdGQzFbjx |
|---|---|
| InChI | InChI=1S/C26H42O5/c1-15(5-10-24(29)30)20-8-9-21-19-7-6-17-13-18(28)11-12-25(17,3)22(19)14-23(26(20,21)4)31-16(2)27/h15,17-23,28H,5-14H2,1-4H3,(H,29,30)/t15-,17-,18-,19+,20-,21+,22+,23+,25+,26-/m1/s1 |
| InChIKey | VLXRZJYCQLHQNC-UMHLJENVSA-N |
| Mol Weight | 434.6 g/mol |
| Molecular Formula | C26H42O5 |
| Exact Mass | 434.303224 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | 8yPBf0fxhal |
|---|---|
| Name | 3.alpha.-Hydroxy-12.alpha.-acetoxy-5.beta.-cholan-24-oic acid |
| Alternate Name(s) | (3alpha,5beta,12alpha)-12-(acetyloxy)-3-hydroxycholan-24-oic acid |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C26H42O5 |
| InChI | InChI=1S/C26H42O5/c1-15(5-10-24(29)30)20-8-9-21-19-7-6-17-13-18(28)11-12-25(17,3)22(19)14-23(26(20,21)4)31-16(2)27/h15,17-23,28H,5-14H2,1-4H3,(H,29,30)/t15-,17-,18-,19+,20-,21+,22+,23+,25+,26-/m1/s1 |
| InChIKey | VLXRZJYCQLHQNC-UMHLJENVSA-N |
| Molecular Weight | 434.617 g/mol |
| SMILES | O[C@@]1(CC[C@]2([C@](CC[C@]3([C@]4([C@@]([C@@]([C@@](CCC(=O)O)(C)[H])(CC4)[H])([C@](C[C@]23[H])(OC(=O)C)[H])C)[H])[H])(C1)[H])C)[H] |
| SPLASH | splash10-0a4i-0095000000-fade0e106fa9586b4e73 |
| Source of Spectrum | SK-27-772-3 |
| Wiley ID | 867709 |