| SpectraBase Compound ID | HYTeKa48hJ8 |
|---|---|
| InChI | InChI=1S/C29H48O4/c1-18(2)8-7-9-19(3)23-10-11-24-22-17-27(31)33-26-16-21(32-20(4)30)12-14-29(26,6)25(22)13-15-28(23,24)5/h18-19,21-26H,7-17H2,1-6H3/t19-,21+,22?,23?,24?,25?,26-,28-,29-/m1/s1 |
| InChIKey | PMOBKBMULNPRQB-BTXDPSBSSA-N |
| Mol Weight | 460.7 g/mol |
| Molecular Formula | C29H48O4 |
| Exact Mass | 460.35526 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | AzcaT3XWysC |
|---|---|
| Name | 3.beta.-Hydroxy-B-homo-6-oxa-5.beta.-cholestan-7-one-3-acetate |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C29H48O4 |
| InChI | InChI=1S/C29H48O4/c1-18(2)8-7-9-19(3)23-10-11-24-22-17-27(31)33-26-16-21(32-20(4)30)12-14-29(26,6)25(22)13-15-28(23,24)5/h18-19,21-26H,7-17H2,1-6H3/t19-,21+,22?,23?,24?,25?,26-,28-,29-/m1/s1 |
| InChIKey | PMOBKBMULNPRQB-BTXDPSBSSA-N |
| Molecular Weight | 460.699 g/mol |
| SMILES | [C@@]12(C(C3CC(O[C@]4([C@@](C3CC2)(CC[C@](OC(=O)C)(C4)[H])C)[H])=O)CCC1[C@@](CCCC(C)C)(C)[H])C |
| SPLASH | splash10-014i-8009200000-d031332c42b93cdd37fb |
| Source of Spectrum | SO-0-230-2 |
| Wiley ID | 1537380 |