| SpectraBase Compound ID | GHGIoZtEqiN |
|---|---|
| InChI | InChI=1S/C28H46O3/c1-5-6-7-19(13-15-29)18(2)23-10-11-24-22-9-8-20-16-21(30)17-26(31)28(20,4)25(22)12-14-27(23,24)3/h8-9,18-19,21,23-26,29-31H,5-7,10-17H2,1-4H3/t18-,19+,21+,23+,24-,25-,26-,27+,28-/m0/s1 |
| InChIKey | WVISCYJRKQIECN-RGSJBHBFSA-N |
| Mol Weight | 430.7 g/mol |
| Molecular Formula | C28H46O3 |
| Exact Mass | 430.344695 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 | Lm9FFyTRdbF |
|---|---|
| Name | 20S,22R-Butyl-(1.alpha.,3.beta.)-chola-5,7-diene-1,3,24-triol |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C28H46O3 |
| InChI | InChI=1S/C28H46O3/c1-5-6-7-19(13-15-29)18(2)23-10-11-24-22-9-8-20-16-21(30)17-26(31)28(20,4)25(22)12-14-27(23,24)3/h8-9,18-19,21,23-26,29-31H,5-7,10-17H2,1-4H3/t18-,19+,21+,23+,24-,25-,26-,27+,28-/m0/s1 |
| InChIKey | WVISCYJRKQIECN-RGSJBHBFSA-N |
| Ionization Type | EI |
| Literature Reference DOI | 10.1021/jm8014348 |
| Molecular Weight | 430.673 g/mol |
| SMILES | O[C@@]1(CC2=CC=C3[C@@]4(CC[C@@]([C@]4(CC[C@@]3([C@]2([C@](C1)(O)[H])C)[H])C)([C@]([C@@](CCO)(CCCC)[H])(C)[H])[H])[H])[H] |
| SPLASH | splash10-0a4i-9002100000-a5160beb52faf56cdd58 |
| Source of Spectrum | AF-52-1446-18 |
| Wiley ID | 1873716 |