| SpectraBase Compound ID | E93zaW6E2Lf |
|---|---|
| InChI | InChI=1S/C25H42O4/c1-15(5-8-21(27)28)17-6-7-18-22-19(9-10-25(17,18)4)24(3)12-11-23(2,29)14-16(24)13-20(22)26/h15-20,22,26,29H,5-14H2,1-4H3,(H,27,28)/t15-,16-,17-,18+,19+,20+,22+,23-,24+,25-/m1/s1 |
| InChIKey | XJQYUQOUUZTOMQ-SHPBJIFZSA-N |
| Mol Weight | 406.6 g/mol |
| Molecular Formula | C25H42O4 |
| Exact Mass | 406.30831 g/mol |
Mass Spectrum (GC)
View the Full Spectrum for FREE!
The full spectrum can only be viewed using a FREE account.
| SpectraBase Spectrum ID | 1PZLiBzAIQs |
|---|---|
| Name | 3.beta.,7.beta.-dihydroxy-3.alpha.-methyl-5.beta.-cholanoic acid |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C25H42O4 |
| InChI | InChI=1S/C25H42O4/c1-15(5-8-21(27)28)17-6-7-18-22-19(9-10-25(17,18)4)24(3)12-11-23(2,29)14-16(24)13-20(22)26/h15-20,22,26,29H,5-14H2,1-4H3,(H,27,28)/t15-,16-,17-,18+,19+,20+,22+,23-,24+,25-/m1/s1 |
| InChIKey | XJQYUQOUUZTOMQ-SHPBJIFZSA-N |
| Molecular Weight | 406.607 g/mol |
| SMILES | O[C@@]1(CC[C@]2([C@](C[C@@]([C@]3([C@]4([C@@]([C@@]([C@@](CCC(=O)O)(C)[H])(CC4)[H])(CC[C@]23[H])C)[H])[H])(O)[H])(C1)[H])C)C |
| SPLASH | splash10-001i-0029000000-889fd48c1a1d74c477a2 |
| Source of Spectrum | BP-34-3-5b |
| Wiley ID | 1669358 |