| SpectraBase Compound ID | 6As7v3gKqpp |
|---|---|
| InChI | InChI=1S/2C28H46O3/c2*1-5-6-7-19(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/h2*8-9,18-19,21,23-26,29-31H,5-7,10-17H2,1-4H3/t18-,19+,21-,23-,24+,25+,26+,27-,28+;18-,19-,21-,23-,24+,25+,26+,27-,28+/m11/s1 |
| InChIKey | SXQBYADNGVEHLK-NQTSGGQZSA-N |
| Mol Weight | 861.3 g/mol |
| Molecular Formula | C56H92O6 |
| Exact Mass | 860.689391 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 | EAFKMdrDh9H |
|---|---|
| Name | 22S-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 | C56H92O6 |
| InChI | InChI=1S/2C28H46O3/c2*1-5-6-7-19(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/h2*8-9,18-19,21,23-26,29-31H,5-7,10-17H2,1-4H3/t18-,19+,21-,23-,24+,25+,26+,27-,28+;18-,19-,21-,23-,24+,25+,26+,27-,28+/m11/s1 |
| InChIKey | SXQBYADNGVEHLK-NQTSGGQZSA-N |
| Ionization Type | EI |
| Literature Reference DOI | 10.1021/jm8014348 |
| Molecular Weight | 861.346 g/mol |
| SMILES | O[C@]1(C[C@@]([C@]2(C(C1)=CC=C1[C@@]2(CC[C@]2([C@]1(CC[C@@]2([C@](C)([C@@](CCCC)(CCO)[H])[H])[H])[H])C)[H])C)(O)[H])[H].O[C@]1(C[C@@]([C@]2(C(C1)=CC=C1[C@@]2(CC[C@]2([C@]1(CC[C@@]2([C@](C)([C@](CCCC)(CCO)[H])[H])[H])[H])C)[H])C)(O)[H])[H] |
| SPLASH | splash10-0a4i-9003100000-1fe235e4235a4dab2828 |
| Source of Spectrum | AF-52-1445-14 |
| Wiley ID | 1873714 |