| SpectraBase Compound ID | KQm9RUNKxUJ |
|---|---|
| InChI | InChI=1S/C27H42O3/c1-16(2)24(29)9-6-17(3)20-7-8-21-19-15-25(30)23-14-18(28)10-12-27(23,5)22(19)11-13-26(20,21)4/h14,17,19-22,24-25,29-30H,1,6-13,15H2,2-5H3/t17-,19?,20?,21?,22?,24?,25-,26?,27?/m1/s1 |
| InChIKey | XVRFEJATNHSMCK-RGLROCAXSA-N |
| Mol Weight | 414.6 g/mol |
| Molecular Formula | C27H42O3 |
| Exact Mass | 414.313395 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | BCRpiBE8e84 |
|---|---|
| Name | 7.beta.,24.eta.-Dihydroxycholesta-4,25-dien-3-one |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C27H42O3 |
| InChI | InChI=1S/C27H42O3/c1-16(2)24(29)9-6-17(3)20-7-8-21-19-15-25(30)23-14-18(28)10-12-27(23,5)22(19)11-13-26(20,21)4/h14,17,19-22,24-25,29-30H,1,6-13,15H2,2-5H3/t17-,19?,20?,21?,22?,24?,25-,26?,27?/m1/s1 |
| InChIKey | XVRFEJATNHSMCK-RGLROCAXSA-N |
| Molecular Weight | 414.630 g/mol |
| SMILES | O[C@@]1(CC2C(CCC3(C([C@@](CCC(C(=C)C)O)(C)[H])CCC23)C)C2(C1=CC(CC2)=O)C)[H] |
| SPLASH | splash10-00di-9020000000-c7d5f7d15f7680cbe207 |
| Source of Spectrum | G4-60-903-5 |
| Wiley ID | 1606816 |