| SpectraBase Compound ID | 8p9QQLDZ9cM |
|---|---|
| InChI | InChI=1S/C29H48O3/c1-19(18-30)7-6-8-20(2)25-11-12-26-24-10-9-22-17-23(32-21(3)31)13-15-28(22,4)27(24)14-16-29(25,26)5/h9,19-20,23-27,30H,6-8,10-18H2,1-5H3/t19?,20-,23+,24?,25-,26?,27?,28+,29-/m1/s1 |
| InChIKey | JDAZPBATUQHQGW-TXTQXWODSA-N |
| Mol Weight | 444.7 g/mol |
| Molecular Formula | C29H48O3 |
| Exact Mass | 444.360345 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | HYtjueRxBAj |
|---|---|
| Name | 26-(Hydroxy)choles-5-en-3.beta.-yl Acetate |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C29H48O3 |
| InChI | InChI=1S/C29H48O3/c1-19(18-30)7-6-8-20(2)25-11-12-26-24-10-9-22-17-23(32-21(3)31)13-15-28(22,4)27(24)14-16-29(25,26)5/h9,19-20,23-27,30H,6-8,10-18H2,1-5H3/t19?,20-,23+,24?,25-,26?,27?,28+,29-/m1/s1 |
| InChIKey | JDAZPBATUQHQGW-TXTQXWODSA-N |
| Molecular Weight | 444.700 g/mol |
| SMILES | OCC(CCC[C@]([C@@]1([C@@]2(C(C3CC=C4[C@@](C3CC2)(CC[C@](OC(=O)C)(C4)[H])C)CC1)C)[H])(C)[H])C |
| SPLASH | splash10-001i-0029000000-bccb681b2b11445383c7 |
| Source of Spectrum | C-114-312-28 |
| Synonyms | (3beta)-26-hydroxycholest-5-en-3-yl acetate |
| Wiley ID | 1386190 |